ChemSpider 2D Image | (4aR,6R,7R,7aS)-6-(6-Amino-9H-purin-9-yl)-2-hydroxy-2-oxidotetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-yl butyrate | C14H18N5O7P

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

  • Molecular FormulaC14H18N5O7P
  • Average mass399.296 Da
  • Monoisotopic mass399.094391 Da
  • ChemSpider ID114812902

  • defined stereocentres - 4 of 4 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-hydroxy-2-oxidotetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-yl butyrate [ACD/IUPAC Name]
(4aR,6R,7R,7aS)-6-(6-Amino-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, (4aR,6R,7R,7aS)-6-(6-amino-9H-purin-9-yl)tetrahydro-2-hydroxy-2-oxido-4H-furo[3,2-d]-1,3,2-dioxaphosphorin-7-yl ester [ACD/Index Name]
Butyrate de (4aR,6R,7R,7aS)-6-(6-amino-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: 2.0±0.1 g/cm3
Boiling Point: 651.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.9±3.0 kJ/mol
Flash Point: 347.7±34.3 °C
Index of Refraction: 1.799
Molar Refractivity: 86.7±0.5 cm3
#H bond acceptors: 12
#H bond donors: 3
#Freely Rotating Bonds: 5
#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: 171 Å2
Polarizability: 34.4±0.5 10-24cm3
Surface Tension: 95.7±7.0 dyne/cm
Molar Volume: 202.9±7.0 cm3

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