ChemSpider 2D Image | 2-Amino-9-{3-deoxy-5-O-[hydroxy(phosphonooxy)phosphoryl]pentofuranosyl}-8-thioxo-1,7,8,9-tetrahydro-6H-purin-6-one | C10H15N5O10P2S

2-Amino-9-{3-deoxy-5-O-[hydroxy(phosphonooxy)phosphoryl]pentofuranosyl}-8-thioxo-1,7,8,9-tetrahydro-6H-purin-6-one

  • Molecular FormulaC10H15N5O10P2S
  • Average mass459.266 Da
  • Monoisotopic mass459.001495 Da
  • ChemSpider ID23168739

More details:

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

2-Amino-9-{3-deoxy-5-O-[hydroxy(phosphonooxy)phosphoryl]pentofuranosyl}-8-thioxo-1,7,8,9-tetrahydro-6H-purin-6-one [ACD/IUPAC Name]
2-Amino-9-{3-desoxy-5-O-[hydroxy(phosphonooxy)phosphoryl]pentofuranosyl}-8-thioxo-1,7,8,9-tetrahydro-6H-purin-6-on [German] [ACD/IUPAC Name]
2-Amino-9-{3-désoxy-5-O-[hydroxy(phosphonooxy)phosphoryl]pentofuranosyl}-8-thioxo-1,7,8,9-tétrahydro-6H-purin-6-one [French] [ACD/IUPAC Name]
9H-Purin-6-ol, 2-amino-9-[3-deoxy-5-O-[hydroxy(phosphonooxy)phosphinyl]pentofuranosyl]-8-mercapto- [ACD/Index Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL311656/

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

Density: 2.6±0.1 g/cm3
Boiling Point: 955.4±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 145.7±3.0 kJ/mol
Flash Point: 531.6±37.1 °C
Index of Refraction: 1.956
Molar Refractivity: 87.2±0.5 cm3
#H bond acceptors: 15
#H bond donors: 7
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: -4.41
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): -10.52
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 291 Å2
Polarizability: 34.6±0.5 10-24cm3
Surface Tension: 168.2±7.0 dyne/cm
Molar Volume: 179.7±7.0 cm3

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