ChemSpider 2D Image | (15R,21S)-18,21,22-Trihydroxy-18-oxido-12-oxo-13,17,19-trioxa-18lambda~5~-phosphadocosan-15-yl (9Z)-9-octadecenoate | C36H69O10P

(15R,21S)-18,21,22-Trihydroxy-18-oxido-12-oxo-13,17,19-trioxa-18λ5-phosphadocosan-15-yl (9Z)-9-octadecenoate

  • Molecular FormulaC36H69O10P
  • Average mass692.901 Da
  • Monoisotopic mass692.462830 Da
  • ChemSpider ID8970075

  • 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

(15R,21S)-18,21,22-Trihydroxy-18-oxido-12-oxo-13,17,19-trioxa-18λ5-phosphadocosan-15-yl (9Z)-9-octadecenoate [ACD/IUPAC Name]
(15R,21S)-18,21,22-Trihydroxy-18-oxido-12-oxo-13,17,19-trioxa-18λ5-phosphadocosan-15-yl-(9Z)-9-octadecenoat [German] [ACD/IUPAC Name]
(9Z)-9-Octadécénoate de (15R,21S)-18,21,22-trihydroxy-12-oxo-18-oxydo-13,17,19-trioxa-18λ5-phosphadocosan-15-yle [French] [ACD/IUPAC Name]
9-Octadecenoic acid, (1R)-2-[[[(2S)-2,3-dihydroxypropoxy]hydroxyphosphinyl]oxy]-1-[[(1-oxododecyl)oxy]methyl]ethyl ester, (9Z)- [ACD/Index Name]
1-dodecanoyl-2-(9Z-octadecenoyl)-glycero-3-phospho-(1'-sn-glycerol)
PG(12:0/18:1(9Z))
PG(12:0_18:1)
PG(30:1)

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

Density: 1.1±0.1 g/cm3
Boiling Point: 743.7±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: 403.6±35.7 °C
Index of Refraction: 1.485
Molar Refractivity: 187.3±0.3 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 37
#Rule of 5 Violations: 3
ACD/LogP: 11.45
ACD/LogD (pH 5.5): 6.99
ACD/BCF (pH 5.5): 18318.68
ACD/KOC (pH 5.5): 4161.00
ACD/LogD (pH 7.4): 6.92
ACD/BCF (pH 7.4): 15492.78
ACD/KOC (pH 7.4): 3519.11
Polar Surface Area: 159 Å2
Polarizability: 74.3±0.5 10-24cm3
Surface Tension: 41.4±3.0 dyne/cm
Molar Volume: 653.5±3.0 cm3

Click to predict properties on the Chemicalize site


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