ChemSpider 2D Image | (18R,24S)-21,24,25-Trihydroxy-21-oxido-15-oxo-16,20,22-trioxa-21lambda~5~-phosphapentacosan-18-yl (9Z)-9-heptadecenoate | C38H73O10P

(18R,24S)-21,24,25-Trihydroxy-21-oxido-15-oxo-16,20,22-trioxa-21λ5-phosphapentacosan-18-yl (9Z)-9-heptadecenoate

  • Molecular FormulaC38H73O10P
  • Average mass720.954 Da
  • Monoisotopic mass720.494141 Da
  • ChemSpider ID113376895

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(18R,24S)-21,24,25-Trihydroxy-21-oxido-15-oxo-16,20,22-trioxa-21λ5-phosphapentacosan-18-yl (9Z)-9-heptadecenoate [ACD/IUPAC Name]
(18R,24S)-21,24,25-Trihydroxy-21-oxido-15-oxo-16,20,22-trioxa-21λ5-phosphapentacosan-18-yl-(9Z)-9-heptadecenoat [German] [ACD/IUPAC Name]
(9Z)-9-Heptadécénoate de (18R,24S)-21,24,25-trihydroxy-15-oxo-21-oxydo-16,20,22-trioxa-21λ5-phosphapentacosan-18-yle [French] [ACD/IUPAC Name]
9-Heptadecenoic acid, (1R)-2-[[[(2S)-2,3-dihydroxypropoxy]hydroxyphosphinyl]oxy]-1-[[(1-oxopentadecyl)oxy]methyl]ethyl ester, (9Z)- [ACD/Index Name]
1-pentadecanoyl-2-(9Z-heptadecenoyl)-glycero-3-phospho-(1'-sn-glycerol)
PG(15:0/17:1(9Z))
PG(15:0_17:1)
PG(32:1)

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

Density: 1.0±0.1 g/cm3
Boiling Point: 761.4±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.8 mmHg at 25°C
Enthalpy of Vaporization: 126.5±6.0 kJ/mol
Flash Point: 414.3±35.7 °C
Index of Refraction: 1.485
Molar Refractivity: 196.6±0.3 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 39
#Rule of 5 Violations: 3
ACD/LogP: 12.51
ACD/LogD (pH 5.5): 7.84
ACD/BCF (pH 5.5): 81287.75
ACD/KOC (pH 5.5): 12089.45
ACD/LogD (pH 7.4): 7.77
ACD/BCF (pH 7.4): 68748.10
ACD/KOC (pH 7.4): 10224.50
Polar Surface Area: 159 Å2
Polarizability: 77.9±0.5 10-24cm3
Surface Tension: 41.0±3.0 dyne/cm
Molar Volume: 686.5±3.0 cm3

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