ChemSpider 2D Image | 5-(6-Amino-9H-purin-9-yl)-4-hydroxy-2-(3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14,19-trioxo-2,4,6-trioxa-18-thia-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaicos-1-yl)tetrahydro-3-furanyl hydrogen phosphate | C23H37N7O17P3S

5-(6-Amino-9H-purin-9-yl)-4-hydroxy-2-(3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14,19-trioxo-2,4,6-trioxa-18-thia-11,15-diaza-3λ5,5λ5-diphosphaicos-1-yl)tetrahydro-3-furanyl hydrogen phosphate

  • Molecular FormulaC23H37N7O17P3S
  • Average mass808.563 Da
  • Monoisotopic mass808.118469 Da
  • ChemSpider ID3752326

  • Charge - Charge

More details:

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

5-(6-Amino-9H-purin-9-yl)-4-hydroxy-2-(3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14,19-trioxo-2,4,6-trioxa-18-thia-11,15-diaza-3λ5,5λ5-diphosphaicos-1-yl)tetrahydro-3-furanyl hydrogen 
 phosphate [ACD/IUPAC Name]
5-(6-Amino-9H-purin-9-yl)-4-hydroxy-2-(3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14,19-trioxo-2,4,6-trioxa-18-thia-11,15-diaza-3λ5,5λ5-diphosphaicos-1-yl)tetrahydro-3-furanylhydrogenp 
hosphat [German] [ACD/IUPAC Name]
9H-Purin-6-amine, 9-[5-O-[[[[4-[[3-[[2-(acetylthio)ethyl]amino]-3-oxopropyl]amino]-3-hydroxy-2,2-dimethyl-4-oxobutoxy]hydroxyphosphinyl]oxy]hydroxyphosphinyl]-3-O-phosphonopentofuranosyl]-, ion(1-) [ACD/Index Name]
Hydrogénophosphate de 5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-(3,5,9-trihydroxy-8,8-diméthyl-10,14,19-trioxo-3,5-dioxydo-2,4,6-trioxa-18-thia-11,15-diaza-3λ5,5λ5-diphosphaicos-1-yl)tétrahy dro-3-furanyle [French] [ACD/IUPAC Name]

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

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 24
#H bond donors: 10
#Freely Rotating Bonds: 20
#Rule of 5 Violations: 3
ACD/LogP: -3.89
ACD/LogD (pH 5.5): -10.34
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -11.18
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 421 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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