ChemSpider 2D Image | 1-{(3xi)-2-Deoxy-5-O-[hydroxy(phosphonoamino)phosphoryl]-beta-D-glycero-pentofuranosyl}-2,4(1H,3H)-pyrimidinedione | C9H15N3O10P2

1-{(3ξ)-2-Deoxy-5-O-[hydroxy(phosphonoamino)phosphoryl]-β-D-glycero-pentofuranosyl}-2,4(1H,3H)-pyrimidinedione

  • Molecular FormulaC9H15N3O10P2
  • Average mass387.177 Da
  • Monoisotopic mass387.023254 Da
  • ChemSpider ID57426660

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

1-{(3ξ)-2-Deoxy-5-O-[hydroxy(phosphonoamino)phosphoryl]-β-D-glycero-pentofuranosyl}-2,4(1H,3H)-pyrimidinedione [ACD/IUPAC Name]
1-{(3ξ)-2-Desoxy-5-O-[hydroxy(phosphonoamino)phosphoryl]-β-D-glycero-pentofuranosyl}-2,4(1H,3H)-pyrimidindion [German] [ACD/IUPAC Name]
1-{(3ξ)-2-Désoxy-5-O-[hydroxy(phosphonoamino)phosphoryl]-β-D-glycéro-pentofuranosyl}-2,4(1H,3H)-pyrimidinedione [French] [ACD/IUPAC Name]
2,4(1H,3H)-Pyrimidinedione, 1-[(3ξ)-2-deoxy-5-O-[hydroxy(phosphonoamino)phosphinyl]-β-D-glycero-pentofuranosyl]- [ACD/Index Name]
178809-71-7 [RN]
dUMPNP
dUpNHp

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: 1.625
Molar Refractivity: 73.3±0.3 cm3
#H bond acceptors: 13
#H bond donors: 6
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: -5.25
ACD/LogD (pH 5.5): -9.93
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -10.32
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 215 Å2
Polarizability: 29.1±0.5 10-24cm3
Surface Tension: 101.2±3.0 dyne/cm
Molar Volume: 207.3±3.0 cm3

Click to predict properties on the Chemicalize site


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