ChemSpider 2D Image | (23S)-20,23,24-Trihydroxy-20-oxido-14-oxo-15,19,21-trioxa-20lambda~5~-phosphatetracosan-17-yl palmitate | C36H71O10P

(23S)-20,23,24-Trihydroxy-20-oxido-14-oxo-15,19,21-trioxa-20λ5-phosphatetracosan-17-yl palmitate

  • Molecular FormulaC36H71O10P
  • Average mass694.917 Da
  • Monoisotopic mass694.478455 Da
  • ChemSpider ID7826067

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

(23S)-20,23,24-Trihydroxy-20-oxido-14-oxo-15,19,21-trioxa-20λ5-phosphatetracosan-17-yl palmitate [ACD/IUPAC Name]
(23S)-20,23,24-Trihydroxy-20-oxido-14-oxo-15,19,21-trioxa-20λ5-phosphatetracosan-17-ylpalmitat [German] [ACD/IUPAC Name]
Hexadecanoic acid, 2-[[[(2S)-2,3-dihydroxypropoxy]hydroxyphosphinyl]oxy]-1-[[(1-oxotetradecyl)oxy]methyl]ethyl ester [ACD/Index Name]
Palmitate de (23S)-20,23,24-trihydroxy-14-oxo-20-oxydo-15,19,21-trioxa-20λ5-phosphatétracosan-17-yle [French] [ACD/IUPAC Name]
1-tetradecanoyl-2-hexadecanoyl-sn-glycero-3-phospho-(1'-sn-glycerol)
GPGro(14:0/16:0)[U]
Hexadecanoic acid, 1-[[[(2,3-dihydroxypropoxy)hydroxyphosphinyl]oxy]methyl]-2-[(1-oxotetradecyl)oxy]ethyl ester

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

LMGP04010023 [DBID]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 743.9±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.6 mmHg at 25°C
Enthalpy of Vaporization: 123.8±6.0 kJ/mol
Flash Point: 403.7±35.7 °C
Index of Refraction: 1.479
Molar Refractivity: 187.3±0.3 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 38
#Rule of 5 Violations: 3
ACD/LogP: 11.97
ACD/LogD (pH 5.5): 7.67
ACD/BCF (pH 5.5): 60279.68
ACD/KOC (pH 5.5): 9760.19
ACD/LogD (pH 7.4): 7.60
ACD/BCF (pH 7.4): 50980.79
ACD/KOC (pH 7.4): 8254.56
Polar Surface Area: 159 Å2
Polarizability: 74.2±0.5 10-24cm3
Surface Tension: 41.0±3.0 dyne/cm
Molar Volume: 659.9±3.0 cm3

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