ChemSpider 2D Image | (18R,24S)-21,24,25-Trihydroxy-21-oxido-15-oxo-16,20,22-trioxa-21lambda~5~-phosphapentacosan-18-yl heptadecanoate | C38H75O10P

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

  • Molecular FormulaC38H75O10P
  • Average mass722.970 Da
  • Monoisotopic mass722.509766 Da
  • ChemSpider ID113377574

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

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

Density: 1.0±0.1 g/cm3
Boiling Point: 761.7±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: 414.4±35.7 °C
Index of Refraction: 1.479
Molar Refractivity: 196.5±0.3 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 40
#Rule of 5 Violations: 3
ACD/LogP: 13.03
ACD/LogD (pH 5.5): 8.44
ACD/BCF (pH 5.5): 228558.23
ACD/KOC (pH 5.5): 25338.20
ACD/LogD (pH 7.4): 8.36
ACD/BCF (pH 7.4): 193300.28
ACD/KOC (pH 7.4): 21429.46
Polar Surface Area: 159 Å2
Polarizability: 77.9±0.5 10-24cm3
Surface Tension: 40.7±3.0 dyne/cm
Molar Volume: 692.9±3.0 cm3

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