ChemSpider 2D Image | 1-[2-Deoxy-5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-beta-D-erythro-pentofuranosyl]-5-nitro-1H-indole | C13H17N2O14P3

1-[2-Deoxy-5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-β-D-erythro-pentofuranosyl]-5-nitro-1H-indole

  • Molecular FormulaC13H17N2O14P3
  • Average mass518.200 Da
  • Monoisotopic mass517.989258 Da
  • ChemSpider ID26328121
  • defined stereocentres - 3 of 3 defined stereocentres


More details:






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

1-[2-Deoxy-5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-β-D-erythro-pentofuranosyl]-5-nitro-1H-indole [ACD/IUPAC Name]
1-[2-Desoxy-5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-β-D-erythro-pentofuranosyl]-5-nitro-1H-indol [German] [ACD/IUPAC Name]
1-[2-Désoxy-5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-β-D-érythro-pentofuranosyl]-5-nitro-1H-indole [French] [ACD/IUPAC Name]
1-{2-deoxy-5-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-β-D-erythro-pentofuranosyl}-5-nitro-1H-indole
1H-Indole, 1-[2-deoxy-5-O-[hydroxy[[hydroxy(phosphonooxy)phosphinyl]oxy]phosphinyl]-β-D-erythro-pentofuranosyl]-5-nitro- [ACD/Index Name]
5-nitro-indolyl- 2'-deoxyriboside triphosphate

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 2.2±0.1 g/cm3
Boiling Point: 864.0±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 131.6±3.0 kJ/mol
Flash Point: 476.3±37.1 °C
Index of Refraction: 1.755
Molar Refractivity: 97.4±0.5 cm3
#H bond acceptors: 16
#H bond donors: 5
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: -3.08
ACD/LogD (pH 5.5): -9.64
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -10.22
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 269 Å2
Polarizability: 38.6±0.5 10-24cm3
Surface Tension: 134.8±7.0 dyne/cm
Molar Volume: 237.8±7.0 cm3

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