ChemSpider 2D Image | 4-Amino-1-[(2xi)-5-O-{hydroxy[(hydroxy{(2R)-3-[(19-methylicosanoyl)oxy]-2-[(12-methyltetradecanoyl)oxy]propoxy}phosphoryl)oxy]phosphoryl}-beta-D-threo-pentofuranosyl]-2(1H)-pyrimidinone | C48H89N3O15P2

4-Amino-1-[(2ξ)-5-O-{hydroxy[(hydroxy{(2R)-3-[(19-methylicosanoyl)oxy]-2-[(12-methyltetradecanoyl)oxy]propoxy}phosphoryl)oxy]phosphoryl}-β-D-threo-pentofuranosyl]-2(1H)-pyrimidinone

  • Molecular FormulaC48H89N3O15P2
  • Average mass1010.179 Da
  • Monoisotopic mass1009.576904 Da
  • ChemSpider ID74878027

  • defined stereocentres - 4 of 6 defined stereocentres

More details:

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

2(1H)-Pyrimidinone, 4-amino-1-[(2ξ)-5-O-[hydroxy[[hydroxy[(2R)-3-[(19-methyl-1-oxoeicosyl)oxy]-2-[(12-methyl-1-oxotetradecyl)oxy]propoxy]phosphinyl]oxy]phosphinyl]-β-D-threo-pentofuranosyl]- [ACD/Index Name]
4-Amino-1-[(2ξ)-5-O-{hydroxy[(hydroxy{(2R)-3-[(19-methylicosanoyl)oxy]-2-[(12-methyltetradecanoyl)oxy]propoxy}phosphoryl)oxy]phosphoryl}-β-D-threo-pentofuranosyl]-2(1H)-pyrimidinon [German] [ACD/IUPAC Name]
4-Amino-1-[(2ξ)-5-O-{hydroxy[(hydroxy{(2R)-3-[(19-methylicosanoyl)oxy]-2-[(12-methyltetradecanoyl)oxy]propoxy}phosphoryl)oxy]phosphoryl}-β-D-threo-pentofuranosyl]-2(1H)-pyrimidinone [ACD/IUPAC Name]
4-Amino-1-[(2ξ)-5-O-{hydroxy[(hydroxy{(2R)-3-[(19-méthylicosanoyl)oxy]-2-[(12-méthyltetradecanoyl)oxy]propoxy}phosphoryl)oxy]phosphoryl}-β-D-thréo-pentofuranosyl]-2(1H)-pyrimidinone [French] [ACD/IUPAC Name]
CDP-DG(i-21:0/a-15:0)

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

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

Density: 1.2±0.1 g/cm3
Boiling Point: 972.9±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 160.7±6.0 kJ/mol
Flash Point: 542.2±37.1 °C
Index of Refraction: 1.547
Molar Refractivity: 256.6±0.5 cm3
#H bond acceptors: 18
#H bond donors: 6
#Freely Rotating Bonds: 44
#Rule of 5 Violations: 4
ACD/LogP: 13.35
ACD/LogD (pH 5.5): 4.74
ACD/BCF (pH 5.5): 211.51
ACD/KOC (pH 5.5): 91.86
ACD/LogD (pH 7.4): 4.62
ACD/BCF (pH 7.4): 158.70
ACD/KOC (pH 7.4): 68.92
Polar Surface Area: 283 Å2
Polarizability: 101.7±0.5 10-24cm3
Surface Tension: 48.9±7.0 dyne/cm
Molar Volume: 809.2±7.0 cm3

Click to predict properties on the Chemicalize site


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