ChemSpider 2D Image | PSB1114 | C10H15F2N2O13P3S

PSB1114

  • Molecular FormulaC10H15F2N2O13P3S
  • Average mass534.215 Da
  • Monoisotopic mass533.947571 Da
  • ChemSpider ID26343774

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

1-{5-O-[({[Difluor(phosphono)methyl](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]-β-D-ribofuranosyl}-4-thioxo-3,4-dihydro-2(1H)-pyrimidinon [German] [ACD/IUPAC Name]
1-{5-O-[({[Difluoro(phosphono)methyl](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]-β-D-ribofuranosyl}-4-thioxo-3,4-dihydro-2(1H)-pyrimidinone [ACD/IUPAC Name]
1-{5-O-[({[Difluoro(phosphono)méthyl](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]-β-D-ribofuranosyl}-4-thioxo-3,4-dihydro-2(1H)-pyrimidinone [French] [ACD/IUPAC Name]
2(1H)-Pyrimidinone, 1-[5-O-[[[(difluorophosphonomethyl)hydroxyphosphinyl]oxy]hydroxyphosphinyl]-β-D-ribofuranosyl]-3,4-dihydro-4-thioxo- [ACD/Index Name]
PSB1114
({[({[(2R,3S,4R,5R)-3,4-dihydroxy-5-(2-oxo-4-sulfanylidene-1,2,3,4-tetrahydropyrimidin-1-yl)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}difluoromethyl)phosphonic acid
1657025-60-9 [RN]
PSB 1114
PSB 1114|PSB-1114
PSB-1114

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

Density: 2.1±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.645
Molar Refractivity: 93.8±0.4 cm3
#H bond acceptors: 15
#H bond donors: 7
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: -2.87
ACD/LogD (pH 5.5): -10.59
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -11.69
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 294 Å2
Polarizability: 37.2±0.5 10-24cm3
Surface Tension: 116.1±5.0 dyne/cm
Molar Volume: 258.7±5.0 cm3

Click to predict properties on the Chemicalize site


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