ChemSpider 2D Image | 9-{5-O-[({[(Hydroxyphosphinato)oxy]phosphinato}oxy)phosphinato]pentofuranosyl}-1-(5-O-phosphonatopentofuranosyl)-1,9-dihydro-6H-purin-6-imine | C15H20N5O20P4

9-{5-O-[({[(Hydroxyphosphinato)oxy]phosphinato}oxy)phosphinato]pentofuranosyl}-1-(5-O-phosphonatopentofuranosyl)-1,9-dihydro-6H-purin-6-imine

  • Molecular FormulaC15H20N5O20P4
  • Average mass714.239 Da
  • Monoisotopic mass713.967957 Da
  • ChemSpider ID24784825

  • Charge - Charge

More details:

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

6H-Purin-6-imine, 1,9-dihydro-9-[5-O-[hydroxy[[hydroxy(phosphonooxy)phosphinyl]oxy]phosphinyl]pentofuranosyl]-1-(5-O-phosphonopentofuranosyl)-, ion(5-) [ACD/Index Name]
9-{5-O-[({[(Hydroxyphosphinato)oxy]phosphinato}oxy)phosphinato]pentofuranosyl}-1-(5-O-phosphonatopentofuranosyl)-1,9-dihydro-6H-purin-6-imin [German] [ACD/IUPAC Name]
9-{5-O-[({[(Hydroxyphosphinato)oxy]phosphinato}oxy)phosphinato]pentofuranosyl}-1-(5-O-phosphonatopentofuranosyl)-1,9-dihydro-6H-purin-6-imine [ACD/IUPAC Name]
9-{5-O-[({[(Hydroxyphosphinato)oxy]phosphinato}oxy)phosphinato]pentofuranosyl}-1-(5-O-phosphonatopentofuranosyl)-1,9-dihydro-6H-purin-6-imine [French] [ACD/IUPAC Name]
1-(5-Phosphoribosyl)-ATP*N1-(5-phospho-D-ribosyl)-ATP*5-phosphoribosyl-ATP*1-(5-phospho-D-ribosyl)-ATP
phosphoribosyl-ATP

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

Density:
Boiling Point: 1191.0±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 184.9±3.0 kJ/mol
Flash Point: 674.1±37.1 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 25
#H bond donors: 11
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: -6.94
ACD/LogD (pH 5.5): -14.01
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -16.34
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 437 Å2
Polarizability:
Surface Tension:
Molar Volume:

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