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-dioxo-17-sulfanyl-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadec-1-yl)tetrahydro-3-furanyl phos phate | C21H34N7O16P3S

5-(6-Amino-9H-purin-9-yl)-4-hydroxy-2-(3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14-dioxo-17-sulfanyl-2,4,6-trioxa-11,15-diaza-3λ5,5λ5-diphosphaheptadec-1-yl)tetrahydro-3-furanyl phos phate

  • Molecular FormulaC21H34N7O16P3S
  • Average mass765.519 Da
  • Monoisotopic mass765.100647 Da
  • ChemSpider ID2882917

  • 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-dioxo-17-sulfanyl-2,4,6-trioxa-11,15-diaza-3λ5,5λ5-diphosphaheptadec-1-yl)tetrahydro-3-furanyl phos 
phate [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-dioxo-17-sulfanyl-2,4,6-trioxa-11,15-diaza-3λ5,5λ5-diphosphaheptadec-1-yl)tetrahydro-3-furanylphosp 
hat [German] [ACD/IUPAC Name]
9H-Purin-6-amine, 9-[5-O-[hydroxy[[hydroxy[3-hydroxy-4-[[3-[(2-mercaptoethyl)amino]-3-oxopropyl]amino]-2,2-dimethyl-4-oxobutoxy]phosphinyl]oxy]phosphinyl]-3-O-phosphonopentofuranosyl]-, ion(2-) [ACD/Index Name]
Phosphate de 5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-(3,5,9-trihydroxy-8,8-diméthyl-10,14-dioxo-3,5-dioxydo-17-sulfanyl-2,4,6-trioxa-11,15-diaza-3λ5,5λ5-diphosphaheptadéc-1-yl)tétrahydro-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: 23
#H bond donors: 10
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 3
ACD/LogP: -4.02
ACD/LogD (pH 5.5): -10.43
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -11.27
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 420 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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