ChemSpider 2D Image | (6Z,18R,24S)-21,24,25-Trihydroxy-21-oxido-15-oxo-16,20,22-trioxa-21lambda~5~-phosphapentacos-6-en-18-yl henicosanoate | C42H81O10P

(6Z,18R,24S)-21,24,25-Trihydroxy-21-oxido-15-oxo-16,20,22-trioxa-21λ5-phosphapentacos-6-en-18-yl henicosanoate

  • Molecular FormulaC42H81O10P
  • Average mass777.060 Da
  • Monoisotopic mass776.556763 Da
  • ChemSpider ID113376938

  • 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

(6Z,18R,24S)-21,24,25-Trihydroxy-21-oxido-15-oxo-16,20,22-trioxa-21λ5-phosphapentacos-6-en-18-yl henicosanoate [ACD/IUPAC Name]
(6Z,18R,24S)-21,24,25-Trihydroxy-21-oxido-15-oxo-16,20,22-trioxa-21λ5-phosphapentacos-6-en-18-yl-henicosanoat [German] [ACD/IUPAC Name]
Heneicosanoic acid, (1R)-2-[[[(2S)-2,3-dihydroxypropoxy]hydroxyphosphinyl]oxy]-1-[[[(9Z)-1-oxo-9-pentadecen-1-yl]oxy]methyl]ethyl ester [ACD/Index Name]
Hénicosanoate de (6Z,18R,24S)-21,24,25-trihydroxy-15-oxo-21-oxydo-16,20,22-trioxa-21λ5-phosphapentacos-6-én-18-yle [French] [ACD/IUPAC Name]
1-(9Z-pentadecenoyl)-2-heneicosanoyl-glycero-3-phospho-(1'-sn-glycerol)
PG(15:1(9Z)/21:0)
PG(15:1_21:0)
PG(36:1)

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

Density: 1.0±0.1 g/cm3
Boiling Point: 796.1±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.3 mmHg at 25°C
Enthalpy of Vaporization: 131.9±6.0 kJ/mol
Flash Point: 435.3±35.7 °C
Index of Refraction: 1.484
Molar Refractivity: 215.1±0.3 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 43
#Rule of 5 Violations: 3
ACD/LogP: 14.64
ACD/LogD (pH 5.5): 9.29
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 73774.95
ACD/LogD (pH 7.4): 9.22
ACD/BCF (pH 7.4): 860307.63
ACD/KOC (pH 7.4): 62394.25
Polar Surface Area: 159 Å2
Polarizability: 85.3±0.5 10-24cm3
Surface Tension: 40.3±3.0 dyne/cm
Molar Volume: 752.5±3.0 cm3

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