1H-Pyrazolo[3,4-d]pyrimidin-4-amine,1-(2-deoxy-b-D-erythro-pentofuranosyl)- supplier

Name
4-AMINO-1-PYRAZOLO[3,4-D]PYRIMIDINYL 2'-DEOXYRIBONUCLEOSIDE
EINECS
CAS No. 17318-21-7
Article Data9
CAS DataBase
Density 1.91 g/cm³
Solubility
Melting Point
Formula C₁₀H₁₃N₅O₃
Boiling Point 599.3 °C at 760 mmHg
Molecular Weight 251.245
Flash Point 316.2 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1H-Pyrazolo[3,4-d]pyrimidine,4-amino-1-(2-deoxy-b-D-erythro-pentofuranosyl)- (7CI,8CI);4-Amino-1-(2-deoxy-b-D-erythro-pentofuranosyl)-1H-pyrazolo[3,4-d]pyrimidine;4-Amino-1-pyrazolo[3,4-d]pyrimidinyl 2'-deoxyribonucleoside;8-Aza-7-deaza-2'-deoxyadenosine;NSC 69921;Super A;1-(2-deoxypentofuranosyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine;4-Amino-1-(2-deoxypentofuranosyl)-1H-pyrazolo(3,4-d)pyrimidine;
PSA 119.31000
LogP -0.36960

1H-Pyrazolo[3,4-d]pyrimidin-4-amine,1-(2-deoxy-b-D-erythro-pentofuranosyl)- Specification

The 1H-Pyrazolo[3,4-d]pyrimidin-4-amine,1-(2-deoxy-b-D-erythro-pentofuranosyl)-, with the CAS registry number 17318-21-7, has the systematic name of 1-(2-deoxypentofuranosyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine. And the molecular formula of the chemical is C₁₀H₁₃N₅O₃.

The characteristics of 1H-Pyrazolo[3,4-d]pyrimidin-4-amine,1-(2-deoxy-b-D-erythro-pentofuranosyl)- are as followings: (1)ACD/LogP: -1.42; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 3.97; (6)ACD/KOC (pH 7.4): 4; (7)#H bond acceptors: 8; (8)#H bond donors: 4; (9)#Freely Rotating Bonds: 4; (10)Polar Surface Area: 74.53 Å²; (11)Index of Refraction: 1.863; (12)Molar Refractivity: 59.1 cm³; (13)Molar Volume: 130.8 cm³; (14)Polarizability: 23.43×10^-24cm³; (15)Surface Tension: 93.6 dyne/cm; (16)Density: 1.91 g/cm³; (17)Flash Point: 316.2 °C; (18)Enthalpy of Vaporization: 93.82 kJ/mol; (19)Boiling Point: 599.3 °C at 760 mmHg; (20)Vapour Pressure: 3.29E-15 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: n2cc1c(ncnc1n2C3OC(C(O)C3)CO)N
(2)InChI: InChI=1/C10H13N5O3/c11-9-5-2-14-15(10(5)13-4-12-9)8-1-6(17)7(3-16)18-8/h2,4,6-8,16-17H,1,3H2,(H2,11,12,13)
(3)InChIKey: GQDCTRKQKKYCHJ-UHFFFAOYAQ

Product Name

4-AMINO-1-PYRAZOLO[3,4-D]PYRIMIDINYL 2'-DEOXYRIBONUCLEOSIDE

1H-Pyrazolo[3,4-d]pyrimidin-4-amine,1-(2-deoxy-b-D-erythro-pentofuranosyl)- Specification

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