C10h12n2O5 6h-furo [2 ', 3': 4,5] oxazolo [3,2-a] pyrimidin-6-siji, 9r, 9-metil-, (2r, 9, 9R, 9RA, ACI, ACI, ACI, ACI, ACI, ACI, ACI)
Nomer Registri CAS
22423-3-3-3
Properties fisik Key | Regane | Kondisi |
Bobot molekuler | 240.211111 | - |
Lelting Point (Eksperimen) | 218 ° C | Solvent: Etanol; Isopropanol |
Titik Giling (diprediksi) | 452.0 ± 55.0 ° C | Pencet: 760 torr |
Kapadhetan (diprediksi) | 1.88 ± 0,1 g / cm3 | Temp: 20 ° C; Pencet: 760 torr |
Pka (diprediksi) | 12.56 ± 0,60 | Temp paling asam: 25 ° C |
Mesem kanonik
O = c1n = c2oc3c (o) c (oc3n2c = c1c) co
Mesem isomerat
O [C @ h] 1 [C @] 2 ([c3) = n3) = c3 = = c3@co) [h]) [h])
INCI
Kopi = 1s / c10h12n2O5 / c1-4-2-12-9 (6 (14) 5-14) 17-10 (4) 15/2,1-7,9 / 12, 7-, 7-, 7-
Kunci inci
Wlloaucnumyoqi-jagxhnfqsa-n
17 Jeneng liya kanggo zat iki
(2R,3 R, 3aS, 9aR) -2,3,3, 9a-tetrahdro-3-hydroxy-2- (hydroxyymethyl) -7-methyl-6H-FURO [2 ', 3': 4,5] Oxazolo [3,2-a] pyrimidin-6-siji (ACI);
6H-FURO [2 ', 3': 4,5] Oxazolo [3,2-a]pyrimidin-6-one, 2,3,3a,9a-tetrahydro-3-hydroxy-2-(hydroxymethyl)-7-methyl- (6CI, 7CI, 8CI); 6H-Furo
[2 ', 3': 4,5] Oxazolo [3,2-a] pyrimidin-6-siji, 2,3,3, 9a-tetrahydro-3-hydroxy-2- (hydroxyymethyl) -7-methyl-, [2R- (2α, 3β, 3Aβ, 9Aβ)] - (ZCI);
11: PN: US20040014699 Kaca: 18 ngaku DNA; 12: PN: US20040005565 Halaman: 17-22 ngaku DNA; 12: PN: US20040005570 kaca: 18 ngaku DNA; 12: PN: US20040006029 Kaca: 21 ngaku DNA; 12: PN: US200400151 Kaca: 21 ngaku DNA; 1: PN: WO20050 06958 Halaman: 59 ngaku DNA; 2,2 '-anhydro (1- β -d-arabinangka) - 5-metypuracil; 3: PN: WO2005007825 kaca: 59 ngaku DNA; 84: PN: US20040005707 Halaman: 18 ngaku DNA; 9: PN: US200400140848 Kaca: 19la ngaku DNA; 9: PN: US20040014049 Kaca: 19
ngaku DNA;O2,2 '-anhydro-5-metilidine; O2,2 '-anhydro-5-methyluridine; TK 112690
Properties kasedhiya
Termal
Properti | Regane | Kondisi | Sumber |
Titik lebur | 240-2422 ° C | (1) cas | |
Titik lebur | 218 ° C | Solvent: Etanol; Isopropanol | (2) cas |
Titik lebur | Ndeleng teks lengkap | (3) cas | |
Titik lebur | Ndeleng teks lengkap | (4) cas |
(1) Oliveira, Maralia p.; Jurnal Societin Kimia Brasil, (2015), 26 (4), 816-821, Caplus
(2) Takatsuki, Ken-ichi; Nukleosida, nukléotida & asam nukleat, (2006), 25 (7), 719-734, caclus
(3) Manoharan, Muthiah; US20030088079, A1, 2003, Caplus
(4) Miraglia, Loren J.; WO2003048315, A2, 2003, Caplus
Spektra availabl
1 h nmr
13 c nmr
Hetero nmr
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 | 12.9 | PH 1; Temp: 25 ° C | (1) ACD |
Koc | 12.9 | PH 2; Temp: 25 ° C | (1) ACD |
Koc | 12.9 | PH 3; Temp: 25 ° C | (1) ACD |
Koc | 12.9 | pH 4; Temp: 25 ° C | (1) ACD |
Koc | 12.9 | pH 5; Temp: 25 ° C | (1) ACD |
Koc | 12.9 | pH 6; Temp: 25 ° C | (1) ACD |
Koc | 12.9 | pH 7; Temp: 25 ° C | (1) ACD |
Koc | 12.9 | PH 8; Temp: 25 ° C | (1) ACD |
Koc | 12.9 | PH 9; Temp: 25 ° C | (1) ACD |
Koc | 12.9 | PH 10; Temp: 25 ° C | (1) ACD |
logd | -0.49 | PH 1; Temp: 25 ° C | (1) ACD |
logd | -0.49 | PH 2; Temp: 25 ° C | (1) ACD |
logd | -0.49 | PH 3; Temp: 25 ° C | (1) ACD |
logd | -0.49 | pH 4; Temp: 25 ° C | (1) ACD |
logd | -0.49 | pH 5; Temp: 25 ° C | (1) ACD |
logd | -0.49 | pH 6; Temp: 25 ° C | (1) ACD |
logd | -0.49 | pH 7; Temp: 25 ° C | (1) ACD |
logd | -0.49 | PH 8; Temp: 25 ° C | (1) ACD |
logd | -0.49 | PH 9; Temp: 25 ° C | (1) ACD |
logd | -0.49 | PH 10; Temp: 25 ° C | (1) ACD |
Properti | Regane | Kondisi | Sumber |
logp | -0.491 ± 0.556 | Temp: 25 ° C | (1) ACD |
Kelarutan Kelainan Intrinsik Massa | 3.1 g / l | Temp: 25 ° C | (1) ACD |
Kelarutan massa | 3.1 g / l | PH 1; Temp: 25 ° C | (1) ACD |
Kelarutan massa | 3.1 g / l | PH 2; Temp: 25 ° C | (1) ACD |
Kelarutan massa | 3.1 g / l | PH 3; Temp: 25 ° C | (1) ACD |
Kelarutan massa | 3.1 g / l | pH 4; Temp: 25 ° C | (1) ACD |
Kelarutan massa | 3.1 g / l | pH 5; Temp: 25 ° C | (1) ACD |
Kelarutan massa | 3.1 g / l | pH 6; Temp: 25 ° C | (1) ACD |
Kelarutan massa | 3.1 g / l | pH 7; Temp: 25 ° C | (1) ACD |
Kelarutan massa | 3.1 g / l | PH 8; Temp: 25 ° C | (1) ACD |
Kelarutan massa | 3.1 g / l | PH 9; Temp: 25 ° C | (1) ACD |
Kelarutan massa | 3.1 g / l | PH 10; Temp: 25 ° C | (1) ACD |
Kelarutan massa | 3.1 g / l | Banyu banyu sing durung rampung 6.94; Temp: 25 ° C | (1) ACD |
Kelarutan Kelaresan Inttrinsik Molar | 0.013 mol / l | Temp: 25 ° C | (1) ACD |
Kelarutan molar | 0.013 mol / l | PH 1; Temp: 25 ° C | (1) ACD |
Kelarutan molar | 0.013 mol / l | PH 2; Temp: 25 ° C | (1) ACD |
Kelarutan molar | 0.013 mol / l | PH 3; Temp: 25 ° C | (1) ACD |
Kelarutan molar | 0.013 mol / l | pH 4; Temp: 25 ° C | (1) ACD |
Kelarutan molar | 0.013 mol / l | pH 5; Temp: 25 ° C | (1) ACD |
Kelarutan molar | 0.013 mol / l | pH 6; Temp: 25 ° C | (1) ACD |
Kelarutan molar | 0.013 mol / l | pH 7; Temp: 25 ° C | (1) ACD |
Kelarutan molar | 0.013 mol / l | PH 8; Temp: 25 ° C | (1) ACD |
Kelarutan molar | 0.013 mol / l | PH 9; Temp: 25 ° C | (1) ACD |
Kelarutan molar | 0.013 mol / l | PH 10; Temp: 25 ° C | (1) ACD |
Kelarutan molar | 0.013 mol / l | Banyu banyu sing durung rampung 6.94; Temp: 25 ° C | (1) ACD |
Bobot molekuler | 240.211111 | ||
PKA | 12.56 ± 0,60 | Temp paling asam: 25 ° C | (1) ACD |
PKA | -4.36 ± 0,60 | Umume Temp: 25 ° C | (1) ACD |
Meksa uap | 4,54 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 | 1.88 ± 0,1 g / cm3 | Temp: 20 ° C; Pencet: 760 torr | (1) ACD |
Jilid Molar | 127.5 ± 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 | -0.491 ± 0.556 | Temp: 25 ° C | (1) ACD |
Bobot molekuler | 240.211111 |
(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 | 452.0 ± 55.0 ° C | Pencet: 760 torr | (1) ACD |
Enthalpy saka Vaporization | 82.04 ± 6.0 kJ / mol | Pencet: 760 torr | (1) ACD |
Sligan Point | 227.2 ± 31,5 ° C | (1) ACD |
(1) Diitung nggunakake piranti lunak kimia majeng (ACD / Labs) v11.02 (© 1994-2023 ACD / Lab)
Spektra kasedhiya ⁿ
1 h nmr
13 c nmr