ChemSpider 2D Image | 1-{5-(6-Amino-9H-purin-9-yl)-4-hydroxy-3-[(hydroxyphosphinato)oxy]tetrahydro-2-furanyl}-3,5,9-trihydroxy-8,8-dimethyl-10,14,19-trioxo-2,4,6-trioxa-18-thia-11,15-diaza-3,5-diphosphadocosan-22-oate 3,5- dioxide | C25H38N7O19P3S

1-{5-(6-Amino-9H-purin-9-yl)-4-hydroxy-3-[(hydroxyphosphinato)oxy]tetrahydro-2-furanyl}-3,5,9-trihydroxy-8,8-dimethyl-10,14,19-trioxo-2,4,6-trioxa-18-thia-11,15-diaza-3,5-diphosphadocosan-22-oate 3,5- dioxide

  • Molecular FormulaC25H38N7O19P3S
  • Average mass865.592 Da
  • Monoisotopic mass865.116699 Da
  • ChemSpider ID3647765

  • Charge - Charge

More details:

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

1-{5-(6-Amino-9H-purin-9-yl)-4-hydroxy-3-[(hydroxyphosphinato)oxy]tetrahydro-2-furanyl}-3,5,9-trihydroxy-8,8-dimethyl-10,14,19-trioxo-2,4,6-trioxa-18-thia-11,15-diaza-3,5-diphosphadocosan-22-oat-3,5-d ioxid [German] [ACD/IUPAC Name]
1-{5-(6-Amino-9H-purin-9-yl)-4-hydroxy-3-[(hydroxyphosphinato)oxy]tetrahydro-2-furanyl}-3,5,9-trihydroxy-8,8-dimethyl-10,14,19-trioxo-2,4,6-trioxa-18-thia-11,15-diaza-3,5-diphosphadocosan-22-oate 3,5- dioxide [ACD/IUPAC Name]
3,5-Dioxyde de 1-{5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-[(hydroxyphosphinato)oxy]tétrahydro-2-furanyl}-3,5,9-trihydroxy-8,8-diméthyl-10,14,19-trioxo-2,4,6-trioxa-18-thia-11,15-diaza-3,5-diphosphadocos an-22-oate [French] [ACD/IUPAC Name]
9H-Purin-6-amine, 9-[5-O-[[[[4-[[3-[[2-[(3-carboxy-1-oxopropyl)thio]ethyl]amino]-3-oxopropyl]amino]-3-hydroxy-2,2-dimethyl-4-oxobutoxy]hydroxyphosphinyl]oxy]hydroxyphosphinyl]-3-O-phosphonopentofurano syl]-, ion(2-) [ACD/Index 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: 26
#H bond donors: 11
#Freely Rotating Bonds: 23
#Rule of 5 Violations: 3
ACD/LogP: -4.09
ACD/LogD (pH 5.5): -11.50
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -12.61
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 461 Å2
Polarizability:
Surface Tension:
Molar Volume:

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