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

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

  • Molecular FormulaC48H85N3O15P2
  • Average mass1006.147 Da
  • Monoisotopic mass1005.545593 Da
  • ChemSpider ID4946080
  • 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]- [ACD/Index Name]
4-Amino-1-{5-O-[{[{2,3-bis[(9E)-9-octadecenoyloxy]propoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]pentofuranosyl}-2(1H)-pyrimidinon [German] [ACD/IUPAC Name]
4-Amino-1-{5-O-[{[{2,3-bis[(9E)-9-octadecenoyloxy]propoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]pentofuranosyl}-2(1H)-pyrimidinone [ACD/IUPAC Name]
4-Amino-1-{5-O-[{[{2,3-bis[(9E)-9-octadecenoyloxy]propoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]pentofuranosyl}-2(1H)-pyrimidinone [French] [ACD/IUPAC Name]
1β-Arabinofuranosylcytosine 5'-diphosphate-1,2-diolein
83214-12-4 [RN]
Ara-cdp-diolein

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

Density: 1.2±0.1 g/cm3
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: 1.546
Molar Refractivity: 257.0±0.5 cm3
#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: 283 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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