ChemSpider 2D Image | (4aR,6R,7R,7aS)-6-[6-Amino-8-(dimethylamino)-9H-purin-9-yl]tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinine-2,7-diol 2-oxide | C12H17N6O6P

(4aR,6R,7R,7aS)-6-[6-Amino-8-(dimethylamino)-9H-purin-9-yl]tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinine-2,7-diol 2-oxide

  • Molecular FormulaC12H17N6O6P
  • Average mass372.274 Da
  • Monoisotopic mass372.094727 Da
  • ChemSpider ID58807880

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(4aR,6R,7R,7aS) 2-Oxyde de 6-[6-amino-8-(diméthylamino)-9H-purin-9-yl]tétrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinine-2,7-diol [French] [ACD/IUPAC Name]
(4aR,6R,7R,7aS)-6-[6-Amino-8-(dimethylamino)-9H-purin-9-yl]tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-2,7-diol-2-oxid [German] [ACD/IUPAC Name]
(4aR,6R,7R,7aS)-6-[6-Amino-8-(dimethylamino)-9H-purin-9-yl]tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinine-2,7-diol 2-oxide [ACD/IUPAC Name]
4H-Furo[3,2-d]-1,3,2-dioxaphosphorin-7-ol, 6-[6-amino-8-(dimethylamino)-9H-purin-9-yl]tetrahydro-2-hydroxy-, 2-oxide, (4aR,6R,7R,7aS)- [ACD/Index Name]
(4AR,6R,7R,7aS)-6-(6-amino-8-(dimethylamino)-9H-purin-9-yl)-2,7-dihydroxytetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinine 2-oxide
33376-91-9 [RN]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 2.1±0.1 g/cm3
Boiling Point: 681.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 105.0±3.0 kJ/mol
Flash Point: 365.8±34.3 °C
Index of Refraction: 1.881
Molar Refractivity: 79.8±0.5 cm3
#H bond acceptors: 12
#H bond donors: 4
#Freely Rotating Bonds: 2
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 168 Å2
Polarizability: 31.7±0.5 10-24cm3
Surface Tension: 110.5±7.0 dyne/cm
Molar Volume: 174.2±7.0 cm3

Click to predict properties on the Chemicalize site


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