ChemSpider 2D Image | 9-(5-O-Phosphono-beta-D-ribofuranosyl)-6-(phosphonosulfanyl)-9H-purin-1-ium | C10H15N4O10P2S

9-(5-O-Phosphono-β-D-ribofuranosyl)-6-(phosphonosulfanyl)-9H-purin-1-ium

  • Molecular FormulaC10H15N4O10P2S
  • Average mass445.259 Da
  • Monoisotopic mass444.997864 Da
  • ChemSpider ID16744152

  • Charge - Charge

    defined stereocentres - 4 of 4 defined stereocentres

More details:

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

9-(5-O-Phosphono-β-D-ribofuranosyl)-6-(phosphonosulfanyl)-9H-purin-1-ium [ACD/IUPAC Name]
9-(5-O-Phosphono-β-D-ribofuranosyl)-6-(phosphonosulfanyl)-9H-purin-1-ium [German] [ACD/IUPAC Name]
9-(5-O-Phosphono-β-D-ribofuranosyl)-6-(phosphonosulfanyl)-9H-purin-1-ium [French] [ACD/IUPAC Name]
9H-Purinium, 9-(5-O-phosphono-β-D-ribofuranosyl)-6-(phosphonothio)- [ACD/Index Name]
(R)-RETRO-THIORPHAN

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

LI7 [DBID]
RRT [DBID]

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

Density:
Boiling Point: 936.4±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 142.7±3.0 kJ/mol
Flash Point: 520.1±37.1 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 14
#H bond donors: 6
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: -1.16
ACD/LogD (pH 5.5): -8.59
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -9.37
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 264 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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