ChemSpider 2D Image | 4-Amino-1-[(2xi)-5-O-{hydroxy[(hydroxy{(2R)-3-[(14-methylpentadecanoyl)oxy]-2-[(10-methylundecanoyl)oxy]propoxy}phosphoryl)oxy]phosphoryl}-beta-D-threo-pentofuranosyl]-2(1H)-pyrimidinone | C40H73N3O15P2

4-Amino-1-[(2ξ)-5-O-{hydroxy[(hydroxy{(2R)-3-[(14-methylpentadecanoyl)oxy]-2-[(10-methylundecanoyl)oxy]propoxy}phosphoryl)oxy]phosphoryl}-β-D-threo-pentofuranosyl]-2(1H)-pyrimidinone

  • Molecular FormulaC40H73N3O15P2
  • Average mass897.966 Da
  • Monoisotopic mass897.451721 Da
  • ChemSpider ID74877942
  • defined stereocentres - 4 of 5 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-[(14-methyl-1-oxopentadecyl)oxy]-2-[(10-methyl-1-oxoundecyl)oxy]propoxy]phosphinyl]oxy]phosphinyl]-β-D-threo-pentofuranosyl]- [ACD/Index Name]
4-Amino-1-[(2ξ)-5-O-{hydroxy[(hydroxy{(2R)-3-[(14-methylpentadecanoyl)oxy]-2-[(10-methylundecanoyl)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-[(14-methylpentadecanoyl)oxy]-2-[(10-methylundecanoyl)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-[(14-méthylpentadecanoyl)oxy]-2-[(10-méthylundecanoyl)oxy]propoxy}phosphoryl)oxy]phosphoryl}-β-D-thréo-pentofuranosyl]-2(1H)-pyrimidinone [French] [ACD/IUPAC Name]
CDP-DG(i-16:0/i-12:0)

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: 1.3±0.1 g/cm3
Boiling Point: 918.1±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 151.5±6.0 kJ/mol
Flash Point: 509.1±37.1 °C
Index of Refraction: 1.558
Molar Refractivity: 219.7±0.5 cm3
#H bond acceptors: 18
#H bond donors: 6
#Freely Rotating Bonds: 36
#Rule of 5 Violations: 4
ACD/LogP: 9.10
ACD/LogD (pH 5.5): 0.99
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.86
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 283 Å2
Polarizability: 87.1±0.5 10-24cm3
Surface Tension: 52.2±7.0 dyne/cm
Molar Volume: 681.2±7.0 cm3

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