ChemSpider 2D Image | 6-Chloro-9-[5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-beta-D-ribofuranosyl]-9H-purine | C10H14ClN4O13P3

6-Chloro-9-[5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-β-D-ribofuranosyl]-9H-purine

  • Molecular FormulaC10H14ClN4O13P3
  • Average mass526.611 Da
  • Monoisotopic mass525.945862 Da
  • ChemSpider ID4955614

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

6-Chlor-9-[5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-β-D-ribofuranosyl]-9H-purin [German] [ACD/IUPAC Name]
6-Chloro-9-[5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-β-D-ribofuranosyl]-9H-purine [ACD/IUPAC Name]
6-Chloro-9-[5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-β-D-ribofuranosyl]-9H-purine [French] [ACD/IUPAC Name]
9H-Purine, 6-chloro-9-[5-O-[hydroxy[[hydroxy(phosphonooxy)phosphinyl]oxy]phosphinyl]-β-D-ribofuranosyl]- [ACD/Index Name]
55673-61-5 [RN]
6-Chloro-9 β-D-ribofuranosylpurine-5'-triphosphate
6-Chloropurine riboside- 5'- O- triphosphate ( 6-Cl-PuTP )
6-Chloropurine riboside-5'-O-triphosphate(6-cl-putp)
9H-Purine, 6-chloro-9-(5-O-(hydroxy((hydroxy(phosphonooxy)phosphinyl)oxy)phosphinyl)-β-D-ribofuranosyl)-
CIRTP

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

Density: 2.6±0.1 g/cm3
Boiling Point: 902.1±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 137.4±3.0 kJ/mol
Flash Point: 499.4±37.1 °C
Index of Refraction: 1.862
Molar Refractivity: 92.5±0.5 cm3
#H bond acceptors: 17
#H bond donors: 6
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: -3.71
ACD/LogD (pH 5.5): -10.49
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -10.99
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 283 Å2
Polarizability: 36.7±0.5 10-24cm3
Surface Tension: 172.6±7.0 dyne/cm
Molar Volume: 204.9±7.0 cm3

Click to predict properties on the Chemicalize site


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