Found 1 result

Search term: 74877716 (Found by CSID)
ChemSpider 2D Image | 4-Amino-1-[(2xi)-5-O-{hydroxy[(hydroxy{(2R)-2-[(9Z,12Z)-9,12-octadecadienoyloxy]-3-[(9Z,12Z,15Z)-9,12,15-octadecatrienoyloxy]propoxy}phosphoryl)oxy]phosphoryl}-beta-D-threo-pentofuranosyl]-2(1H)-pyrim idinone | C48H79N3O15P2

4-Amino-1-[(2ξ)-5-O-{hydroxy[(hydroxy{(2R)-2-[(9Z,12Z)-9,12-octadecadienoyloxy]-3-[(9Z,12Z,15Z)-9,12,15-octadecatrienoyloxy]propoxy}phosphoryl)oxy]phosphoryl}-β-D-threo-pentofuranosyl]-2(1H)-pyrim idinone

  • Molecular FormulaC48H79N3O15P2
  • Average mass1000.099 Da
  • Monoisotopic mass999.498657 Da
  • ChemSpider ID74877716

  • 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

2(1H)-Pyrimidinone, 4-amino-1-[(2ξ)-5-O-[hydroxy[[hydroxy[(2R)-2-[[(9Z,12Z)-1-oxo-9,12-octadecadien-1-yl]oxy]-3-[[(9Z,12Z,15Z)-1-oxo-9,12,15-octadecatrien-1-yl]oxy]propoxy]phosphinyl]oxy]phosphinyl]- β-D-threo-pentofuranosyl]- [ACD/Index Name]
4-Amino-1-[(2ξ)-5-O-{hydroxy[(hydroxy{(2R)-2-[(9Z,12Z)-9,12-octadecadienoyloxy]-3-[(9Z,12Z,15Z)-9,12,15-octadecatrienoyloxy]propoxy}phosphoryl)oxy]phosphoryl}-β-D-threo-pentofuranosyl]-2(1H)-pyrim idinon [German] [ACD/IUPAC Name]
4-Amino-1-[(2ξ)-5-O-{hydroxy[(hydroxy{(2R)-2-[(9Z,12Z)-9,12-octadecadienoyloxy]-3-[(9Z,12Z,15Z)-9,12,15-octadecatrienoyloxy]propoxy}phosphoryl)oxy]phosphoryl}-β-D-threo-pentofuranosyl]-2(1H)-pyrim idinone [ACD/IUPAC Name]
4-Amino-1-[(2ξ)-5-O-{hydroxy[(hydroxy{(2R)-2-[(9Z,12Z)-9,12-octadecadienoyloxy]-3-[(9Z,12Z,15Z)-9,12,15-octadecatrienoyloxy]propoxy}phosphoryl)oxy]phosphoryl}-β-D-thréo-pentofuranosyl]-2(1H)-pyrim idinone [French] [ACD/IUPAC Name]
CDP-DG(18:3(9Z,12Z,15Z)/18:2(9Z,12Z))

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: 980.1±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 161.9±6.0 kJ/mol
Flash Point: 546.6±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: 41
#Rule of 5 Violations: 4
ACD/LogP: 10.97
ACD/LogD (pH 5.5): 3.10
ACD/BCF (pH 5.5): 11.89
ACD/KOC (pH 5.5): 11.70
ACD/LogD (pH 7.4): 2.97
ACD/BCF (pH 7.4): 8.92
ACD/KOC (pH 7.4): 8.78
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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