Found 8 results

Search term: MF = 'C_{48}H_{79}N_{3}O_{15}P_{2}'
ChemSpider 2D Image | 4-Amino-1-{(2xi)-5-O-[{[{(2R)-3-[(9Z)-9-hexadecenoyloxy]-2-[(5Z,8Z,11Z,14Z)-5,8,11,14-icosatetraenoyloxy]propoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-beta-D-threo-pentofuranosyl}-2(1H)-pyrimid inone | C48H79N3O15P2

4-Amino-1-{(2ξ)-5-O-[{[{(2R)-3-[(9Z)-9-hexadecenoyloxy]-2-[(5Z,8Z,11Z,14Z)-5,8,11,14-icosatetraenoyloxy]propoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-β-D-threo-pentofuranosyl}-2(1H)-pyrimid inone

  • Molecular FormulaC48H79N3O15P2
  • Average mass1000.099 Da
  • Monoisotopic mass999.498657 Da
  • ChemSpider ID74877691

  • 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-[[(5Z,8Z,11Z,14Z)-1-oxo-5,8,11,14-eicosatetraen-1-yl]oxy]-3-[[(9Z)-1-oxo-9-hexadecen-1-yl]oxy]propoxy]phosphinyl]oxy]phosphinyl]-β- D-threo-pentofuranosyl]- [ACD/Index Name]
4-Amino-1-{(2ξ)-5-O-[{[{(2R)-3-[(9Z)-9-hexadecenoyloxy]-2-[(5Z,8Z,11Z,14Z)-5,8,11,14-icosatetraenoyloxy]propoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-β-D-threo-pentofuranosyl}-2(1H)-pyrimid inon [German] [ACD/IUPAC Name]
4-Amino-1-{(2ξ)-5-O-[{[{(2R)-3-[(9Z)-9-hexadecenoyloxy]-2-[(5Z,8Z,11Z,14Z)-5,8,11,14-icosatetraenoyloxy]propoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-β-D-threo-pentofuranosyl}-2(1H)-pyrimid inone [ACD/IUPAC Name]
4-Amino-1-{(2ξ)-5-O-[{[{(2R)-3-[(9Z)-9-hexadecenoyloxy]-2-[(5Z,8Z,11Z,14Z)-5,8,11,14-icosatetraenoyloxy]propoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-β-D-thréo-pentofuranosyl}-2(1H)-pyrimid inone [French] [ACD/IUPAC Name]
CDP-DG(16:1(9Z)/20:4(5Z,8Z,11Z,14Z))

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: 10.93
ACD/LogD (pH 5.5): 3.30
ACD/BCF (pH 5.5): 16.92
ACD/KOC (pH 5.5): 15.06
ACD/LogD (pH 7.4): 3.17
ACD/BCF (pH 7.4): 12.69
ACD/KOC (pH 7.4): 11.30
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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