ChemSpider 2D Image | (4aS,6S,7S,7aS)-6-[6-(Butyrylamino)-9H-purin-9-yl]-2-hydroxy-2-oxidotetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-yl butyrate | C18H24N5O8P

(4aS,6S,7S,7aS)-6-[6-(Butyrylamino)-9H-purin-9-yl]-2-hydroxy-2-oxidotetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-yl butyrate

  • Molecular FormulaC18H24N5O8P
  • Average mass469.386 Da
  • Monoisotopic mass469.136261 Da
  • ChemSpider ID58159211

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(4aS,6S,7S,7aS)-6-[6-(Butyrylamino)-9H-purin-9-yl]-2-hydroxy-2-oxidotetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-yl butyrate [ACD/IUPAC Name]
(4aS,6S,7S,7aS)-6-[6-(Butyrylamino)-9H-purin-9-yl]-2-hydroxy-2-oxidotetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-ylbutyrat [German] [ACD/IUPAC Name]
butanoic acid [(4aS,6S,7S,7aS)-2-hydroxy-2-oxo-6-[6-(1-oxobutylamino)-9-purinyl]-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphorin-7-yl] ester
Butanoic acid, (4aS,6S,7S,7aS)-tetrahydro-2-hydroxy-2-oxido-6-[6-[(1-oxobutyl)amino]-9H-purin-9-yl]-4H-furo[3,2-d]-1,3,2-dioxaphosphorin-7-yl ester [ACD/Index Name]
Butyrate de (4aS,6S,7S,7aS)-6-[6-(butyrylamino)-9H-purin-9-yl]-2-hydroxy-2-oxydotétrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-yle [French] [ACD/IUPAC Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.717
Molar Refractivity: 106.9±0.5 cm3
#H bond acceptors: 13
#H bond donors: 2
#Freely Rotating Bonds: 8
#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: 174 Å2
Polarizability: 42.4±0.5 10-24cm3
Surface Tension: 75.4±7.0 dyne/cm
Molar Volume: 271.5±7.0 cm3

Click to predict properties on the Chemicalize site


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