ChemSpider 2D Image | 1-[2-Deoxy-5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-beta-L-erythro-pentofuranosyl]-4-(hydroxyamino)-2(1H)-pyrimidinone | C9H16N3O14P3

1-[2-Deoxy-5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-β-L-erythro-pentofuranosyl]-4-(hydroxyamino)-2(1H)-pyrimidinone

  • Molecular FormulaC9H16N3O14P3
  • Average mass483.156 Da
  • Monoisotopic mass482.984497 Da
  • ChemSpider ID24717863

  • 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-L-erythro-pentofuranosyl]-4-(hydroxyamino)-2(1H)-pyrimidinone [ACD/IUPAC Name]
1-[2-Desoxy-5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-β-L-erythro-pentofuranosyl]-4-(hydroxyamino)-2(1H)-pyrimidinon [German] [ACD/IUPAC Name]
1-[2-Désoxy-5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-β-L-érythro-pentofuranosyl]-4-(hydroxyamino)-2(1H)-pyrimidinone [French] [ACD/IUPAC Name]
2(1H)-Pyrimidinone, 1-[2-deoxy-5-O-[hydroxy[[hydroxy(phosphonooxy)phosphinyl]oxy]phosphinyl]-β-L-erythro-pentofuranosyl]-4-(hydroxyamino)- [ACD/Index Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL520311/

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

Density: 2.4±0.1 g/cm3
Boiling Point: 835.0±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 138.0±6.0 kJ/mol
Flash Point: 458.8±37.1 °C
Index of Refraction: 1.773
Molar Refractivity: 83.6±0.5 cm3
#H bond acceptors: 17
#H bond donors: 7
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: -6.29
ACD/LogD (pH 5.5): -12.71
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -13.31
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 284 Å2
Polarizability: 33.2±0.5 10-24cm3
Surface Tension: 162.0±7.0 dyne/cm
Molar Volume: 200.7±7.0 cm3

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