ChemSpider 2D Image | 3-(2-Deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-1H-pyrimido[5,4-b][1,4]benzoxazin-2(3H)-one | C15H16N3O8P

3-(2-Deoxy-5-O-phosphono-β-D-erythro-pentofuranosyl)-1H-pyrimido[5,4-b][1,4]benzoxazin-2(3H)-one

  • Molecular FormulaC15H16N3O8P
  • Average mass397.277 Da
  • Monoisotopic mass397.067505 Da
  • ChemSpider ID59051931

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

1H-Pyrimido[5,4-b][1,4]benzoxazin-2(3H)-one, 3-(2-deoxy-5-O-phosphono-β-D-erythro-pentofuranosyl)- [ACD/Index Name]
3-(2-Deoxy-5-O-phosphono-β-D-erythro-pentofuranosyl)-1H-pyrimido[5,4-b][1,4]benzoxazin-2(3H)-one [ACD/IUPAC Name]
3-(2-Desoxy-5-O-phosphono-β-D-erythro-pentofuranosyl)-1H-pyrimido[5,4-b][1,4]benzoxazin-2(3H)-on [German] [ACD/IUPAC Name]
3-(2-Désoxy-5-O-phosphono-β-D-érythro-pentofuranosyl)-1H-pyrimido[5,4-b][1,4]benzoxazin-2(3H)-one [French] [ACD/IUPAC Name]

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

Density: 1.9±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.782
Molar Refractivity: 86.8±0.5 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: -1.10
ACD/LogD (pH 5.5): -3.79
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.57
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 160 Å2
Polarizability: 34.4±0.5 10-24cm3
Surface Tension: 95.9±7.0 dyne/cm
Molar Volume: 206.5±7.0 cm3

Click to predict properties on the Chemicalize site


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