ChemSpider 2D Image | 4-Amino-1-{5-O-[({[(2R)-2,3-bis(stearoyloxy)propoxy](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]-beta-D-arabinofuranosyl}-2(1H)-pyrimidinone | C48H89N3O15P2

4-Amino-1-{5-O-[({[(2R)-2,3-bis(stearoyloxy)propoxy](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]-β-D-arabinofuranosyl}-2(1H)-pyrimidinone

  • Molecular FormulaC48H89N3O15P2
  • Average mass1010.179 Da
  • Monoisotopic mass1009.576904 Da
  • ChemSpider ID118312

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

2(1H)-Pyrimidinone, 4-amino-1-[5-O-[[[[(2R)-2,3-bis[(1-oxooctadecyl)oxy]propoxy]hydroxyphosphinyl]oxy]hydroxyphosphinyl]-β-D-arabinofuranosyl]- [ACD/Index Name]
4-Amino-1-{5-O-[({[(2R)-2,3-bis(stearoyloxy)propoxy](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]-β-D-arabinofuranosyl}-2(1H)-pyrimidinon [German] [ACD/IUPAC Name]
4-Amino-1-{5-O-[({[(2R)-2,3-bis(stearoyloxy)propoxy](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]-β-D-arabinofuranosyl}-2(1H)-pyrimidinone [ACD/IUPAC Name]
4-Amino-1-{5-O-[({[(2R)-2,3-bis(stearoyloxy)propoxy](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]-β-D-arabinofuranosyl}-2(1H)-pyrimidinone [French] [ACD/IUPAC Name]
[(2R,3S,4S,5R)-5-(4-AMINO-2-OXOPYRIMIDIN-1-YL)-3,4-DIHYDROXYOXOLAN-2-YL]METHOXY([(2R)-2,3-BIS(OCTADECANOYLOXY)PROPOXY(HYDROXY)PHOSPHORYL]OXY)PHOSPHINIC ACID
1(β)-Arabinofuranosylcytosine 5'-diphosphate-1,2-distearin
2(1H)-Pyrimidinone, 4-amino-1-(5-O-((((2,3-bis((1-oxooctadecyl)oxy)propoxy)hydroxyphosphinyl)oxy)hydroxyphosphinyl)-β-D-arabinofuranosyl)-, (R)-
83214-11-3 [RN]
Ara-cdp-distearin

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

Density: 1.2±0.1 g/cm3
Boiling Point: 978.6±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 161.7±6.0 kJ/mol
Flash Point: 545.7±37.1 °C
Index of Refraction: 1.546
Molar Refractivity: 257.0±0.5 cm3
#H bond acceptors: 18
#H bond donors: 6
#Freely Rotating Bonds: 46
#Rule of 5 Violations: 4
ACD/LogP: 13.72
ACD/LogD (pH 5.5): 6.93
ACD/BCF (pH 5.5): 9644.05
ACD/KOC (pH 5.5): 1414.36
ACD/LogD (pH 7.4): 6.80
ACD/BCF (pH 7.4): 7236.04
ACD/KOC (pH 7.4): 1061.21
Polar Surface Area: 283 Å2
Polarizability: 101.9±0.5 10-24cm3
Surface Tension: 49.8±7.0 dyne/cm
Molar Volume: 810.9±7.0 cm3

Click to predict properties on the Chemicalize site


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