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)

Produk

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)

Informasi dhasar:


Detail Produk

Tag Produk

Rincian bahan

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

Jeneng lan Identifikasi Liyane

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 Eksperimen

Properties kasedhiya
Termal

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

Spektral Eksperimen

Spektra availabl
1 h nmr
13 c nmr
Hetero nmr
Massa

Properti sing diramalake

Properties kasedhiya
Biologis
Kimia
Kapadhetan
Lipinski
Struktur sing gegandhengan
Termal

Biologis

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)

Kimia

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)

Lipinski

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)

Struktur sing gegandhengan

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)

Termal

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)

Diramalake spektrasi

Spektra kasedhiya ⁿ
1 h nmr
13 c nmr


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