ChemSpider 2D Image | 2(1H)-Pyrimidinone, 4-amino-1-(5-O-((((((11beta)-11,17-dihydroxy-3,20-dioxopregn-4-en-21-yl)oxy)hydroxyphosphinyl)oxy)hydroxyphosphinyl)-beta-D-arabinofuranosyl)- | C30H43N3O15P2

2(1H)-Pyrimidinone, 4-amino-1-(5-O-((((((11β)-11,17-dihydroxy-3,20-dioxopregn-4-en-21-yl)oxy)hydroxyphosphinyl)oxy)hydroxyphosphinyl)-β-D-arabinofuranosyl)-

  • Molecular FormulaC30H43N3O15P2
  • Average mass747.621 Da
  • Monoisotopic mass747.216919 Da
  • ChemSpider ID19991551
  • defined stereocentres - 11 of 11 defined stereocentres


More details:






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

2(1H)-Pyrimidinone, 4-amino-1-(5-O-((((((11β)-11,17-dihydroxy-3,20-dioxopregn-4-en-21-yl)oxy)hydroxyphosphinyl)oxy)hydroxyphosphinyl)-β-D-arabinofuranosyl)-
2(1H)-Pyrimidinone, 4-amino-1-[5-O-[[[[[(11β)-11,17-dihydroxy-3,20-dioxopregn-4-en-21-yl]oxy]hydroxyphosphinyl]oxy]hydroxyphosphinyl]-β-D-arabinofuranosyl]- [ACD/Index Name]
4-Amino-1-{5-O-[{[{[(11β)-11,17-dihydroxy-3,20-dioxopregn-4-en-21-yl]oxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-β-D-arabinofuranosyl}-2(1H)-pyrimidinon [German] [ACD/IUPAC Name]
4-Amino-1-{5-O-[{[{[(11β)-11,17-dihydroxy-3,20-dioxopregn-4-en-21-yl]oxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-β-D-arabinofuranosyl}-2(1H)-pyrimidinone [ACD/IUPAC Name]
4-Amino-1-{5-O-[{[{[(11β)-11,17-dihydroxy-3,20-dioxoprégn-4-én-21-yl]oxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-β-D-arabinofuranosyl}-2(1H)-pyrimidinone [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.8±0.1 g/cm3
Boiling Point: 958.0±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 158.2±6.0 kJ/mol
Flash Point: 533.2±37.1 °C
Index of Refraction: 1.742
Molar Refractivity: 164.3±0.5 cm3
#H bond acceptors: 18
#H bond donors: 8
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: -1.87
ACD/LogD (pH 5.5): -7.67
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.85
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 305 Å2
Polarizability: 65.1±0.5 10-24cm3
Surface Tension: 91.8±7.0 dyne/cm
Molar Volume: 406.5±7.0 cm3

Click to predict properties on the Chemicalize site






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