ChemSpider 2D Image | 1-[5-O-(Hydroxyphosphinato)pentofuranosyl]-6-imino-9-[5-O-({[(phosphonatooxy)phosphinato]oxy}phosphinato)pentofuranosyl]-6,9-dihydro-1H-purin-7-iumato | C15H21N5O20P4

1-[5-O-(Hydroxyphosphinato)pentofuranosyl]-6-imino-9-[5-O-({[(phosphonatooxy)phosphinato]oxy}phosphinato)pentofuranosyl]-6,9-dihydro-1H-purin-7-iumato

  • Molecular FormulaC15H21N5O20P4
  • Average mass715.246 Da
  • Monoisotopic mass714.975220 Da
  • ChemSpider ID21232774

  • Charge - Charge

More details:

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

1-[5-O-(Hydroxyphosphinato)pentofuranosyl]-6-imino-9-[5-O-({[(phosphonatooxy)phosphinato]oxy}phosphinato)pentofuranosyl]-6,9-dihydro-1H-purin-7-ium [German] [ACD/IUPAC Name]
1-[5-O-(Hydroxyphosphinato)pentofuranosyl]-6-imino-9-[5-O-({[(phosphonatooxy)phosphinato]oxy}phosphinato)pentofuranosyl]-6,9-dihydro-1H-purin-7-ium [French] [ACD/IUPAC Name]
1-[5-O-(Hydroxyphosphinato)pentofuranosyl]-6-imino-9-[5-O-({[(phosphonatooxy)phosphinato]oxy}phosphinato)pentofuranosyl]-6,9-dihydro-1H-purin-7-iumato [ACD/IUPAC Name]
6H-Purin-6-iminato(4-), 1,9-dihydro-9-[5-O-[hydroxy[[hydroxy(phosphonooxy)phosphinyl]oxy]phosphinyl]pentofuranosyl]-1-(5-O-phosphonopentofuranosyl)-, inner salt, ion(4-) [ACD/Index Name]

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: 438 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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