ChemSpider 2D Image | 1-[(3xi)-5-O-{Hydroxy[(hydroxy{(2R)-2-[(11Z)-11-octadecenoyloxy]-3-[(9Z)-9-octadecenoyloxy]propoxy}phosphoryl)oxy]phosphoryl}-beta-D-erythro-pentofuranosyl]-4-imino-1,4-dihydro-2-pyrimidinol | C48H85N3O15P2

1-[(3ξ)-5-O-{Hydroxy[(hydroxy{(2R)-2-[(11Z)-11-octadecenoyloxy]-3-[(9Z)-9-octadecenoyloxy]propoxy}phosphoryl)oxy]phosphoryl}-β-D-erythro-pentofuranosyl]-4-imino-1,4-dihydro-2-pyrimidinol

  • Molecular FormulaC48H85N3O15P2
  • Average mass1006.147 Da
  • Monoisotopic mass1005.545593 Da
  • ChemSpider ID59700462
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 5 defined stereocentres


More details:






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

1-[(3ξ)-5-O-{Hydroxy[(hydroxy{(2R)-2-[(11Z)-11-octadecenoyloxy]-3-[(9Z)-9-octadecenoyloxy]propoxy}phosphoryl)oxy]phosphoryl}-β-D-erythro-pentofuranosyl]-4-imino-1,4-dihydro-2-pyrimidinol [German] [ACD/IUPAC Name]
1-[(3ξ)-5-O-{Hydroxy[(hydroxy{(2R)-2-[(11Z)-11-octadecenoyloxy]-3-[(9Z)-9-octadecenoyloxy]propoxy}phosphoryl)oxy]phosphoryl}-β-D-erythro-pentofuranosyl]-4-imino-1,4-dihydro-2-pyrimidinol [ACD/IUPAC Name]
1-[(3ξ)-5-O-{Hydroxy[(hydroxy{(2R)-2-[(11Z)-11-octadecenoyloxy]-3-[(9Z)-9-octadecenoyloxy]propoxy}phosphoryl)oxy]phosphoryl}-β-D-érythro-pentofuranosyl]-4-imino-1,4-dihydro-2-pyrimidinol [French] [ACD/IUPAC Name]
2-Pyrimidinol, 1,4-dihydro-1-[(3ξ)-5-O-[hydroxy[[hydroxy[(2R)-2-[[(11Z)-1-oxo-11-octadecen-1-yl]oxy]-3-[[(9Z)-1-oxo-9-octadecen-1-yl]oxy]propoxy]phosphinyl]oxy]phosphinyl]-β-D-erythro-pentofuranos yl]-4-imino- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 974.5±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 161.0±6.0 kJ/mol
Flash Point: 543.2±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: 12.21
ACD/LogD (pH 5.5): 4.65
ACD/BCF (pH 5.5): 168.96
ACD/KOC (pH 5.5): 72.51
ACD/LogD (pH 7.4): 4.64
ACD/BCF (pH 7.4): 164.81
ACD/KOC (pH 7.4): 70.73
Polar Surface Area: 284 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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