ChemSpider 2D Image | 2,3-bis-O-phytanyl-sn-glycerol 1-phosphate | C43H89O6P

2,3-bis-O-phytanyl-sn-glycerol 1-phosphate

  • Molecular FormulaC43H89O6P
  • Average mass733.137 Da
  • Monoisotopic mass732.639648 Da
  • ChemSpider ID395043
  • defined stereocentres - 7 of 7 defined stereocentres


More details:






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

(2S)-2,3-Bis{[(3R,7R,11R)-3,7,11,15-tetramethylhexadecyl]oxy}propyl dihydrogen phosphate [ACD/IUPAC Name]
(2S)-2,3-Bis{[(3R,7R,11R)-3,7,11,15-tetramethylhexadecyl]oxy}propyldihydrogenphosphat [German] [ACD/IUPAC Name]
1-Propanol, 2,3-bis[[(3R,7R,11R)-3,7,11,15-tetramethylhexadecyl]oxy]-, dihydrogen phosphate, (2S)- [ACD/Index Name]
2,3-bis-O-phytanyl-sn-glycerol 1-phosphate
Dihydrogénophosphate de (2S)-2,3-bis{[(3R,7R,11R)-3,7,11,15-tétraméthylhexadécyl]oxy}propyle [French] [ACD/IUPAC Name]
1,2-Di-1-(3,7,11,15-Tetramethyl-Hexadecane)-Sn-Glycero-3-Phosphate
2,3-DI-O-PHYTANLY-3-SN-GLYCERO-1-PHOSPHORYL-3'-SN-GLYCEROL-1'-PHOSPHATE
3-Phosphoryl-[1,2-Di-Phytanyl]glycerol
https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:73131
IH4
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 0.9±0.1 g/cm3
Boiling Point: 735.0±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.2 mmHg at 25°C
Enthalpy of Vaporization: 116.7±6.0 kJ/mol
Flash Point: 398.3±35.7 °C
Index of Refraction: 1.466
Molar Refractivity: 216.1±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 36
#Rule of 5 Violations: 2
ACD/LogP: 17.13
ACD/LogD (pH 5.5): 11.04
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 731315.44
ACD/LogD (pH 7.4): 10.11
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 84706.65
Polar Surface Area: 95 Å2
Polarizability: 85.7±0.5 10-24cm3
Surface Tension: 34.0±3.0 dyne/cm
Molar Volume: 780.0±3.0 cm3

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