ChemSpider 2D Image | 1-[5-O-(Hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-D-ribofuranosyl]-1,3a,4,6,7,8a-hexahydroimidazo[4,5-e][1,2,4]triazepine-5,8-dione | C10H18N5O15P3

1-[5-O-(Hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-D-ribofuranosyl]-1,3a,4,6,7,8a-hexahydroimidazo[4,5-e][1,2,4]triazepine-5,8-dione

  • Molecular FormulaC10H18N5O15P3
  • Average mass541.196 Da
  • Monoisotopic mass541.001221 Da
  • ChemSpider ID25053071

  • defined stereocentres - 3 of 6 defined stereocentres

More details:

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

1-[5-O-(Hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-D-ribofuranosyl]-1,3a,4,6,7,8a-hexahydroimidazo[4,5-e][1,2,4]triazepin-5,8-dion [German] [ACD/IUPAC Name]
1-[5-O-(Hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-D-ribofuranosyl]-1,3a,4,6,7,8a-hexahydroimidazo[4,5-e][1,2,4]triazepine-5,8-dione [ACD/IUPAC Name]
1-[5-O-(Hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-D-ribofuranosyl]-1,3a,4,6,7,8a-hexahydroimidazo[4,5-e][1,2,4]triazépine-5,8-dione [French] [ACD/IUPAC Name]
Imidazo[4,5-e][1,2,4]triazepine-5,8-dione, 1,3a,4,6,7,8a-hexahydro-1-[5-O-[hydroxy[[hydroxy(phosphonooxy)phosphinyl]oxy]phosphinyl]-D-ribofuranosyl]- [ACD/Index Name]

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

Density: 2.8±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.929
Molar Refractivity: 92.7±0.5 cm3
#H bond acceptors: 20
#H bond donors: 9
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: -7.07
ACD/LogD (pH 5.5): -11.89
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -13.08
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 325 Å2
Polarizability: 36.7±0.5 10-24cm3
Surface Tension: 214.0±7.0 dyne/cm
Molar Volume: 194.8±7.0 cm3

Click to predict properties on the Chemicalize site


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