C9H10N2O5 6h-Furo [2 ', 3': 4,5] Oxazolo [3,2-A] Pyrimidin-6-siji, 3r, 9R, 9R, 9R, 9R, 9R, 9R, ACI, ACI, ACI, ACI, ACI, ACI, ACI, ACI, ACI, ACI, ACI.
Nomer Registri CAS
3736-77-4
Properties fisik Key | Regane | Kondisi |
Bobot molekuler | 226.19 | - |
Lelting Point (Eksperimen) | 234-235 ° C | - |
Titik Giling (diprediksi) | 456,3 ± 55.0 ° C | Pencet: 760 torr |
Kapadhetan (diprediksi) | 2.01 ± 0,1 g / cm3 | Temp: 20 ° C; Pencet: 760 torr |
Pka (diprediksi) | 12,55 ± 0.40 | Temp paling asam: 25 ° C |
Mesem kanonik
O = c1n = c2oc3c (o) c (oc3n2c = c1) co
Mesem isomerat
O [C @ H] 1 [C @] 2 ([C @] (O2) = C3) (O [C.@co) [h]) [h]) [h])
INCI
Kopi = 1s / c9H10N2O5 / C12--4-6 (14) 7-8 (13) 10-9 (11) 16-7-2,4h, 3H2 / 3 +, 8- / / / / / / 3-
Kunci inci
Uugitdaswnoaggnogg-ccxzuqqusa-n
13 Jeneng liya kanggo zat iki
(2r, 3 R, 3AS, 9AR) -2,3,3A, 9A-tetrahydro-3-hydroxy-2- (hydroxyymethyl) -6h-furo [3,2-a] pyrimidin-6-siji (ACI); 6h-Furo [2 ', 3': 4,5] Oxazolo [3,2-A] Pyrimidin-6-siji, 2,3,3A, 9A-Tetriydro-3- (hydroxyymethyl) - (6ci, 7ci); 6h-furo [2 ', 3': 4,5] Oxazolo [3,2-A] Pyrimidin-6-siji, 9R- (20α, 3α, 3β, 3β, 3β, 3β)] - (ZCI); 6h-Furo [2 ', 3': 4,5] Oxazolo [3,2-A]
pyrimidin-6-siji, 2,3,3, 9a-tetrahydro-3-hydroxy-2- (hydroxyymethyl) -, stereoisomer (8Ci); 2,2 '-anhydro (1- β -d-arenafuraofuraofuraofuraofuraofuraofuraofuraofuraofuraosyl) Uracil; 2,2 '-anhydro-1- β -d-arabino-faranosylacil; 2,2 '-anhydro-N1- ((β -d-arabinaofuranosyl) Uracil; 2,2 '-andruridine; 2,2 '-o-cyclouridine; NSC 157148; O2,2 '-andruridine; O2,2 '-cyclouridine; β -d-2 ', 2-O-Cycloaratabinidine
Properties kasedhiya
Optik lan nyebarake
Termal
Properti | Regane | Kondisi | Sumber |
Daya rotatory optik | -19 deg | Solvent: Methanol; λ: 589.3 NM; Temp: 26 ° C | (1) cas |
(1) codoyet, john f.; Jurnal Society Kimia Amerika, (1961), 83, 5030-1, Caplus
Properti | Regane | Kondisi | Sumber |
Titik lebur | 250-253 ° C | (1) cas | |
Titik lebur | 246 ° C | Solvent: Etanol; Isopropanol | (2) cas |
Titik lebur | 242-245 ° C | (3) cas | |
Titik lebur | 242-243 ° C | (4) cas | |
Titik lebur | 236-238 ° C (Decomp) | (5) CAS | |
Titik lebur | 234 ° C | (6) cas | |
Titik lebur | 234-235 ° C | (7) cas | |
Titik lebur | 233-234 ° C (Decomp) | Solvent: Metanol | (8) CAS |
Titik lebur | Ndeleng teks lengkap | (9) CAS |
(1) lin, kun-i.; Jurnal Masyarakat Kimia Cina (Taipei, Taiwan), (2007), 54 (2), 563-568, Caplus
(2) Takatsuki, Ken-ichi; Nukleosida, nukléotida & asam nukleat, (2006), 25 (7), 719-734, caclus
(3) wnuk, stanislaw f.; Jurnal kimia organik, (2002), 67 (6), 1816-1819, Caplus
(4) szlenkier, maurcy; Nukleosida, nukléotida & asam nukleat, (2016), 35 (8), 410-425, Caplus
(5) Marumoto, Ryuji; Takeda Kenkyusho Nenpo, (1967), 26, 21-3, Caplus
(6) kribmaniic, Irena; Tetrapedron, (2003), 59 (23), 4047-4057, Caplus
(7) coklat, dm; Jurnal Society Kimia, (1958), 3035-8, Caplus
(8) Li, heting; Komunikasi Sintetik, (2006), 36 (14), 1933-1940, Caplus
(9) codoyet, john f.; Jurnal Society Kimia Amerika, (1961), 83, 5030-1, Caplus
Spektrum kasedhiya
1 h nmr
13 c nmr
IR
Spektrum kasedhiya
Massa
Properties kasedhiya
Biologis
Kimia
Kapadhetan
Lipinski
Struktur sing gegandhengan
Termal
Properti | Regane | Kondisi | Sumber |
Faktor biokentrasi | 1.0 | PH 1; Temp: 25 ° C | (1) ACD |
Faktor biokentrasi | 1.0 | PH 2; Temp: 25 ° C | (1) ACD |
Faktor biokentrasi | 1.0 | PH 3; Temp: 25 ° C | (1) ACD |
Faktor biokentrasi | 1.0 | pH 4; Temp: 25 ° C | (1) ACD |
Faktor biokentrasi | 1.0 | pH 5; Temp: 25 ° C | (1) ACD |
Faktor biokentrasi | 1.0 | pH 6; Temp: 25 ° C | (1) ACD |
Faktor biokentrasi | 1.0 | pH 7; Temp: 25 ° C | (1) ACD |
Faktor biokentrasi | 1.0 | PH 8; Temp: 25 ° C | (1) ACD |
Faktor biokentrasi | 1.0 | PH 9; Temp: 25 ° C | (1) ACD |
Faktor biokentrasi | 1.0 | PH 10; Temp: 25 ° C | (1) ACD |
(1) Diitung nggunakake piranti lunak kimia majeng (ACD / Labs) v11.02 (© 1994-2023 ACD / Lab)
Properti | Regane | Kondisi | Sumber |
Koc | 7.66 | PH 1; Temp: 25 ° C | (1) ACD |
Koc | 7.66 | PH 2; Temp: 25 ° C | (1) ACD |
Koc | 7.66 | PH 3; Temp: 25 ° C | (1) ACD |
Koc | 7.66 | pH 4; Temp: 25 ° C | (1) ACD |
Koc | 7.66 | pH 5; Temp: 25 ° C | (1) ACD |
Koc | 7.66 | pH 6; Temp: 25 ° C | (1) ACD |
Koc | 7.66 | pH 7; Temp: 25 ° C | (1) ACD |
Koc | 7.66 | PH 8; Temp: 25 ° C | (1) ACD |
Properti | Regane | Kondisi | Sumber |
Koc | 7.66 | PH 9; Temp: 25 ° C | (1) ACD |
Koc | 7.64 | PH 10; Temp: 25 ° C | (1) ACD |
logd | -0.91 | PH 1; Temp: 25 ° C | (1) ACD |
logd | -0.91 | PH 2; Temp: 25 ° C | (1) ACD |
logd | -0.91 | PH 3; Temp: 25 ° C | (1) ACD |
logd | -0.91 | pH 4; Temp: 25 ° C | (1) ACD |
logd | -0.91 | pH 5; Temp: 25 ° C | (1) ACD |
logd | -0.91 | pH 6; Temp: 25 ° C | (1) ACD |
logd | -0.91 | pH 7; Temp: 25 ° C | (1) ACD |
logd | -0.91 | PH 8; Temp: 25 ° C | (1) ACD |
logd | -0.91 | PH 9; Temp: 25 ° C | (1) ACD |
logd | -0.91 | PH 10; Temp: 25 ° C | (1) ACD |
logp | -0.906 ± 0.555 | Temp: 25 ° C | (1) ACD |
Kelarutan Kelainan Intrinsik Massa | 4.7 g / l | Temp: 25 ° C | (1) ACD |
Kelarutan massa | 4.7 g / l | PH 1; Temp: 25 ° C | (1) ACD |
Kelarutan massa | 4.7 g / l | PH 2; Temp: 25 ° C | (1) ACD |
Kelarutan massa | 4.7 g / l | PH 3; Temp: 25 ° C | (1) ACD |
Kelarutan massa | 4.7 g / l | pH 4; Temp: 25 ° C | (1) ACD |
Kelarutan massa | 4.7 g / l | pH 5; Temp: 25 ° C | (1) ACD |
Kelarutan massa | 4.7 g / l | pH 6; Temp: 25 ° C | (1) ACD |
Kelarutan massa | 4.7 g / l | pH 7; Temp: 25 ° C | (1) ACD |
Kelarutan massa | 4.7 g / l | PH 8; Temp: 25 ° C | (1) ACD |
Kelarutan massa | 4.7 g / l | PH 9; Temp: 25 ° C | (1) ACD |
Kelarutan massa | 4.7 g / l | PH 10; Temp: 25 ° C | (1) ACD |
Kelarutan massa | 4.7 g / l | Banyu banyu sing durung rampung 6.91; Temp: 25 ° C | (1) ACD |
Kelarutan Kelaresan Inttrinsik Molar | 0,021 mol / l | Temp: 25 ° C | (1) ACD |
Kelarutan molar | 0,021 mol / l | PH 1; Temp: 25 ° C | (1) ACD |
Kelarutan molar | 0,021 mol / l | PH 2; Temp: 25 ° C | (1) ACD |
Kelarutan molar | 0,021 mol / l | PH 3; Temp: 25 ° C | (1) ACD |
Kelarutan molar | 0,021 mol / l | pH 4; Temp: 25 ° C | (1) ACD |
Kelarutan molar | 0,021 mol / l | pH 5; Temp: 25 ° C | (1) ACD |
Kelarutan molar | 0,021 mol / l | pH 6; Temp: 25 ° C | (1) ACD |
Properti | Regane | Kondisi | Sumber |
Kelarutan molar | 0,021 mol / l | pH 7; Temp: 25 ° C | (1) ACD |
Kelarutan molar | 0,021 mol / l | PH 8; Temp: 25 ° C | (1) ACD |
Kelarutan molar | 0,021 mol / l | PH 9; Temp: 25 ° C | (1) ACD |
Kelarutan molar | 0,021 mol / l | PH 10; Temp: 25 ° C | (1) ACD |
Kelarutan molar | 0,021 mol / l | Banyu banyu sing durung rampung 6.91; Temp: 25 ° C | (1) ACD |
Bobot molekuler | 226.19 | ||
PKA | 12,55 ± 0.40 | Temp paling asam: 25 ° C | (1) ACD |
PKA | -4.68 ± 0,60 | Umume Temp: 25 ° C | (1) ACD |
Meksa uap | 3.04 x 10-10 torr | Temp: 25 ° C | (1) ACD |
(1) Diitung nggunakake piranti lunak kimia majeng (ACD / Labs) v11.02 (© 1994-2023 ACD / Lab)
Properti | Regane | Kondisi | Sumber |
Kapadhetan | 2.01 ± 0,1 g / cm3 | Temp: 20 ° C; Pencet: 760 torr | (1) ACD |
Jilid Molar | 112,3 ± 7.0 cm3 / mol | Temp: 20 ° C; Pencet: 760 torr | (1) ACD |
(1) Diitung nggunakake piranti lunak kimia majeng (ACD / Labs) v11.02 (© 1994-2023 ACD / Lab)
Properti | Regane | Kondisi | Sumber |
Obligasi kanthi bebas | 3 | (1) ACD | |
H Nampa | 7 | (1) ACD | |
H donor | 2 | (1) ACD | |
H Donor / Sumrah Panampa | 9 | (1) ACD | |
logp | -0.906 ± 0.555 | Temp: 25 ° C | (1) ACD |
Bobot molekuler | 226.19 |
(1) Diitung nggunakake piranti lunak kimia majeng (ACD / Labs) v11.02 (© 1994-2023 ACD / Lab)
Properti | Regane | Sumber kahanan |
Area permukaan polar | 91.6 A2 | (1) ACD |
(1) Diitung nggunakake piranti lunak kimia majeng (ACD / Labs) v11.02 (© 1994-2023 ACD / Lab)
Properti | Regane | Kondisi | Sumber |
Titik Giling | 456,3 ± 55.0 ° C | Pencet: 760 torr | (1) ACD |
Properti | Regane | Kondisi | Sumber |
Enthalpy saka Vaporization | 82,62 ± 6.0 kJ / mol | Pencet: 760 torr | (1) ACD |
Sligan Point | 229.8 ± 31,5 ° C | (1) ACD |
(1) Diitung nggunakake piranti lunak kimia majeng (ACD / Labs) v11.02 (© 1994-2023 ACD / Lab)
Spektrum kasedhiya
1 h nmr
13 c nmr
Sumber Statement Code Hazard | |
H302 mbebayani yen ditelan | Badan Kimia Eropa (Procha) Klasifikasi & Labeling Inventori - Klasifikasi Dalan lan Label - Kabar Umum Umum, Badan Kimia Eropa (ECHA) Klasifikasi & Label Inventorial Inventori - Klasifikasi Dalan lan Label - Kabar Paling Seri serius |