ChemSpider 2D Image | (4E)-1-[2-Deoxy-5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)pentofuranosyl]-4-(methylimino)-3,4-dihydro-2(1H)-pyrimidinone | C10H18N3O13P3

(4E)-1-[2-Deoxy-5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)pentofuranosyl]-4-(methylimino)-3,4-dihydro-2(1H)-pyrimidinone

  • Molecular FormulaC10H18N3O13P3
  • Average mass481.184 Da
  • Monoisotopic mass481.005249 Da
  • ChemSpider ID95638636

More details:

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

(4E)-1-[2-Deoxy-5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)pentofuranosyl]-4-(methylimino)-3,4-dihydro-2(1H)-pyrimidinone [ACD/IUPAC Name]
(4E)-1-[2-Desoxy-5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)pentofuranosyl]-4-(methylimino)-3,4-dihydro-2(1H)-pyrimidinon [German] [ACD/IUPAC Name]
(4E)-1-[2-Désoxy-5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)pentofuranosyl]-4-(méthylimino)-3,4-dihydro-2(1H)-pyrimidinone [French] [ACD/IUPAC Name]
2(1H)-Pyrimidinone, 1-[2-deoxy-5-O-[hydroxy[[hydroxy(phosphonooxy)phosphinyl]oxy]phosphinyl]pentofuranosyl]-3,4-dihydro-4-(methylimino)-, (4E)- [ACD/Index Name]

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

Density: 2.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.729
Molar Refractivity: 87.2±0.5 cm3
#H bond acceptors: 16
#H bond donors: 6
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: -5.53
ACD/LogD (pH 5.5): -10.48
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -10.98
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 263 Å2
Polarizability: 34.6±0.5 10-24cm3
Surface Tension: 132.3±7.0 dyne/cm
Molar Volume: 218.6±7.0 cm3

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