ChemSpider 2D Image | 4-Amino-1-{5-O-[{[(2,3-bis{[(1E,9E)-1-hydroxy-1,9-octadecadien-1-yl]oxy}propoxy)(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]pentofuranosyl}-2(1H)-pyrimidinone | C48H85N3O15P2

4-Amino-1-{5-O-[{[(2,3-bis{[(1E,9E)-1-hydroxy-1,9-octadecadien-1-yl]oxy}propoxy)(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]pentofuranosyl}-2(1H)-pyrimidinone

  • Molecular FormulaC48H85N3O15P2
  • Average mass1006.147 Da
  • Monoisotopic mass1005.545593 Da
  • ChemSpider ID95640161

  • 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[[(1E,9E)-1-hydroxy-1,9-octadecadien-1-yl]oxy]propoxy]hydroxyphosphinyl]oxy]hydroxyphosphinyl]pentofuranosyl]- [ACD/Index Name]
4-Amino-1-{5-O-[{[(2,3-bis{[(1E,9E)-1-hydroxy-1,9-octadecadien-1-yl]oxy}propoxy)(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]pentofuranosyl}-2(1H)-pyrimidinon [German] [ACD/IUPAC Name]
4-Amino-1-{5-O-[{[(2,3-bis{[(1E,9E)-1-hydroxy-1,9-octadecadien-1-yl]oxy}propoxy)(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]pentofuranosyl}-2(1H)-pyrimidinone [ACD/IUPAC Name]
4-Amino-1-{5-O-[{[(2,3-bis{[(1E,9E)-1-hydroxy-1,9-octadécadién-1-yl]oxy}propoxy)(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]pentofuranosyl}-2(1H)-pyrimidinone [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 1026.7±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 169.9±6.0 kJ/mol
Flash Point: 574.7±37.1 °C
Index of Refraction: 1.546
Molar Refractivity: 257.0±0.5 cm3
#H bond acceptors: 18
#H bond donors: 8
#Freely Rotating Bonds: 42
#Rule of 5 Violations: 4
ACD/LogP: 13.55
ACD/LogD (pH 5.5): 3.78
ACD/BCF (pH 5.5): 40.26
ACD/KOC (pH 5.5): 29.15
ACD/LogD (pH 7.4): 3.59
ACD/BCF (pH 7.4): 26.19
ACD/KOC (pH 7.4): 18.96
Polar Surface Area: 289 Å2
Polarizability: 101.9±0.5 10-24cm3
Surface Tension: 49.8±7.0 dyne/cm
Molar Volume: 810.9±7.0 cm3

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