ChemSpider 2D Image | 4-Amino-1-{5-O-[{[(2,3-bis{[(2E,6E,10E)-3,7,11,15-tetramethyl-2,6,10,14-hexadecatetraen-1-yl]oxy}propoxy)(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-beta-D-glycero-pentofuranosyl}-2(1H)-pyrimidinone | C52H85N3O13P2

4-Amino-1-{5-O-[{[(2,3-bis{[(2E,6E,10E)-3,7,11,15-tetramethyl-2,6,10,14-hexadecatetraen-1-yl]oxy}propoxy)(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-β-D-glycero-pentofuranosyl}-2(1H)-pyrimidinone

  • Molecular FormulaC52H85N3O13P2
  • Average mass1022.191 Da
  • Monoisotopic mass1021.555786 Da
  • ChemSpider ID24608992

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 5 defined stereocentres

More details:

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

2(1H)-Pyrimidinone, 4-amino-1-[5-O-[[[[2,3-bis[[(2E,6E,10E)-3,7,11,15-tetramethyl-2,6,10,14-hexadecatetraen-1-yl]oxy]propoxy]hydroxyphosphinyl]oxy]hydroxyphosphinyl]-β-D-glycero-pentofuranosyl]- [ACD/Index Name]
4-Amino-1-{5-O-[{[(2,3-bis{[(2E,6E,10E)-3,7,11,15-tetramethyl-2,6,10,14-hexadecatetraen-1-yl]oxy}propoxy)(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-β-D-glycero-pentofuranosyl}-2(1H)-pyrimidinon [German] [ACD/IUPAC Name]
4-Amino-1-{5-O-[{[(2,3-bis{[(2E,6E,10E)-3,7,11,15-tetramethyl-2,6,10,14-hexadecatetraen-1-yl]oxy}propoxy)(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-β-D-glycero-pentofuranosyl}-2(1H)-pyrimidinone [ACD/IUPAC Name]
4-Amino-1-{5-O-[{[(2,3-bis{[(2E,6E,10E)-3,7,11,15-tétraméthyl-2,6,10,14-hexadécatétraén-1-yl]oxy}propoxy)(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-β-D-glycéro-pentofuranosyl}-2(1H)-pyrimidinone [French] [ACD/IUPAC Name]
329329-13-7 [RN]
CDP-archaeol
cytidine-diphospho-(2,3-di-O-3',7',11',15'-tetramethylhexadec-2',6',10',14'-tetraenyl)-sn-glycerol
Cytidine-diphospho-(2,3-di-O-geranylgeranyl-sn-glycerol)

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

Density: 1.2±0.1 g/cm3
Boiling Point: 980.7±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 162.0±6.0 kJ/mol
Flash Point: 546.9±37.1 °C
Index of Refraction: 1.536
Molar Refractivity: 272.2±0.5 cm3
#H bond acceptors: 16
#H bond donors: 6
#Freely Rotating Bonds: 34
#Rule of 5 Violations: 4
ACD/LogP: 12.56
ACD/LogD (pH 5.5): 4.30
ACD/BCF (pH 5.5): 98.38
ACD/KOC (pH 5.5): 53.16
ACD/LogD (pH 7.4): 4.18
ACD/BCF (pH 7.4): 73.56
ACD/KOC (pH 7.4): 39.75
Polar Surface Area: 249 Å2
Polarizability: 107.9±0.5 10-24cm3
Surface Tension: 43.0±7.0 dyne/cm
Molar Volume: 873.6±7.0 cm3

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