ChemSpider 2D Image | (4aR,6R,7R,7aS)-6-(6-Amino-9H-purin-9-yl)-2-(dimethylamino)-7-hydroxytetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-2-ium-2-olate | C12H17N6O5P

(4aR,6R,7R,7aS)-6-(6-Amino-9H-purin-9-yl)-2-(dimethylamino)-7-hydroxytetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-2-ium-2-olate

  • Molecular FormulaC12H17N6O5P
  • Average mass356.274 Da
  • Monoisotopic mass356.099792 Da
  • ChemSpider ID103884101

  • defined stereocentres - 4 of 5 defined stereocentres

More details:

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

(4aR,6R,7R,7aS)-6-(6-Amino-9H-purin-9-yl)-2-(dimethylamino)-7-hydroxytetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-2-ium-2-olat [German] [ACD/IUPAC Name]
(4aR,6R,7R,7aS)-6-(6-Amino-9H-purin-9-yl)-2-(dimethylamino)-7-hydroxytetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-2-ium-2-olate [ACD/IUPAC Name]
(4aR,6R,7R,7aS)-6-(6-Amino-9H-purin-9-yl)-2-(diméthylamino)-7-hydroxytétrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-2-ium-2-olate [French] [ACD/IUPAC Name]
40732-50-1 [RN]
4H-Furo[3,2-d]-1,3,2-dioxaphosphorinium, 6-(6-amino-9H-purin-9-yl)-2-(dimethylamino)tetrahydro-2,7-dihydroxy-, inner salt, (4aR,6R,7R,7aS)- [ACD/Index Name]

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

Density: 2.0±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.849
Molar Refractivity: 79.0±0.5 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 4
#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: 144 Å2
Polarizability: 31.3±0.5 10-24cm3
Surface Tension: 99.7±7.0 dyne/cm
Molar Volume: 177.0±7.0 cm3

Click to predict properties on the Chemicalize site


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