ChemSpider 2D Image | 4-Amino-1-[(5E)-5,6-dideoxy-2-O-methyl-6-phosphono-beta-D-ribo-hex-5-enofuranosyl]-2(1H)-pyrimidinone | C11H16N3O7P

4-Amino-1-[(5E)-5,6-dideoxy-2-O-methyl-6-phosphono-β-D-ribo-hex-5-enofuranosyl]-2(1H)-pyrimidinone

  • Molecular FormulaC11H16N3O7P
  • Average mass333.234 Da
  • Monoisotopic mass333.072571 Da
  • ChemSpider ID34548554

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 4 defined stereocentres

More details:

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

2(1H)-Pyrimidinone, 4-amino-1-[(5E)-5,6-dideoxy-2-O-methyl-6-phosphono-β-D-ribo-hex-5-enofuranosyl]- [ACD/Index Name]
4-Amino-1-[(5E)-5,6-dideoxy-2-O-methyl-6-phosphono-β-D-ribo-hex-5-enofuranosyl]-2(1H)-pyrimidinone [ACD/IUPAC Name]
4-Amino-1-[(5E)-5,6-didesoxy-2-O-methyl-6-phosphono-β-D-ribo-hex-5-enofuranosyl]-2(1H)-pyrimidinon [German] [ACD/IUPAC Name]
4-Amino-1-[(5E)-5,6-didésoxy-2-O-méthyl-6-phosphono-β-D-ribo-hex-5-énofuranosyl]-2(1H)-pyrimidinone [French] [ACD/IUPAC Name]

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

Density: 1.8±0.1 g/cm3
Boiling Point: 610.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.0 mmHg at 25°C
Enthalpy of Vaporization: 104.0±6.0 kJ/mol
Flash Point: 323.2±34.3 °C
Index of Refraction: 1.696
Molar Refractivity: 70.8±0.5 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: -2.80
ACD/LogD (pH 5.5): -6.39
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.82
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 165 Å2
Polarizability: 28.1±0.5 10-24cm3
Surface Tension: 87.1±7.0 dyne/cm
Molar Volume: 184.0±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement