ChemSpider 2D Image | 4-Amino-1-(5-O-{[({2,3-bis[(9E)-9-octadecenoyloxy]propoxy}phosphinato)oxy]phosphinato}pentofuranosyl)-2(1H)-pyrimidinone | C48H83N3O15P2

4-Amino-1-(5-O-{[({2,3-bis[(9E)-9-octadecenoyloxy]propoxy}phosphinato)oxy]phosphinato}pentofuranosyl)-2(1H)-pyrimidinone

  • Molecular FormulaC48H83N3O15P2
  • Average mass1004.132 Da
  • Monoisotopic mass1003.531067 Da
  • ChemSpider ID95641373
  • Charge - Charge

    Double-bond stereo - Double-bond stereo


More details:






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

2(1H)-Pyrimidinone, 4-amino-1-[5-O-[[[[2,3-bis[[(9E)-1-oxo-9-octadecen-1-yl]oxy]propoxy]hydroxyphosphinyl]oxy]hydroxyphosphinyl]pentofuranosyl]-, ion(2-) [ACD/Index Name]
4-Amino-1-(5-O-{[({2,3-bis[(9E)-9-octadecenoyloxy]propoxy}phosphinato)oxy]phosphinato}pentofuranosyl)-2(1H)-pyrimidinon [German] [ACD/IUPAC Name]
4-Amino-1-(5-O-{[({2,3-bis[(9E)-9-octadecenoyloxy]propoxy}phosphinato)oxy]phosphinato}pentofuranosyl)-2(1H)-pyrimidinone [ACD/IUPAC Name]
4-Amino-1-(5-O-{[({2,3-bis[(9E)-9-octadecenoyloxy]propoxy}phosphinato)oxy]phosphinato}pentofuranosyl)-2(1H)-pyrimidinone [French] [ACD/IUPAC Name]

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

Density:
Boiling Point: 979.2±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 161.8±6.0 kJ/mol
Flash Point: 546.0±37.1 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 18
#H bond donors: 6
#Freely Rotating Bonds: 44
#Rule of 5 Violations: 4
ACD/LogP: 12.69
ACD/LogD (pH 5.5): 4.98
ACD/BCF (pH 5.5): 322.45
ACD/KOC (pH 5.5): 124.22
ACD/LogD (pH 7.4): 4.86
ACD/BCF (pH 7.4): 241.93
ACD/KOC (pH 7.4): 93.20
Polar Surface Area: 289 Å2
Polarizability:
Surface Tension:
Molar Volume:

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