ChemSpider 2D Image | (1R)-1-[(3S,4R)-5-(6-Amino-9H-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]propyl dihydrogen phosphate | C12H18N5O7P

(1R)-1-[(3S,4R)-5-(6-Amino-9H-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]propyl dihydrogen phosphate

  • Molecular FormulaC12H18N5O7P
  • Average mass375.274 Da
  • Monoisotopic mass375.094391 Da
  • ChemSpider ID59718892

  • defined stereocentres - 3 of 5 defined stereocentres

More details:

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

(1R)-1-[(3S,4R)-5-(6-Amino-9H-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]propyl dihydrogen phosphate [ACD/IUPAC Name]
(1R)-1-[(3S,4R)-5-(6-Amino-9H-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]propyldihydrogenphosphat [German] [ACD/IUPAC Name]
9H-Purin-6-amine, 9-(6,7-dideoxy-5-O-phosphono-D-ribo-heptofuranosyl)- [ACD/Index Name]
Dihydrogénophosphate de (1R)-1-[(3S,4R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytétrahydro-2-furanyl]propyle [French] [ACD/IUPAC Name]

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

Density: 2.1±0.1 g/cm3
Boiling Point: 766.0±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 117.0±3.0 kJ/mol
Flash Point: 417.1±35.7 °C
Index of Refraction: 1.823
Molar Refractivity: 78.9±0.5 cm3
#H bond acceptors: 12
#H bond donors: 6
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 0.66
ACD/LogD (pH 5.5): -4.70
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.70
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 196 Å2
Polarizability: 31.3±0.5 10-24cm3
Surface Tension: 109.6±7.0 dyne/cm
Molar Volume: 180.9±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement