Found 1 result

Search term: 113376808 (Found by CSID)
ChemSpider 2D Image | (15R,21S)-18,21,22-Trihydroxy-18-oxido-12-oxo-13,17,19-trioxa-18lambda~5~-phosphadocosan-15-yl (9Z,12Z)-9,12-heptadecadienoate | C35H65O10P

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

  • Molecular FormulaC35H65O10P
  • Average mass676.858 Da
  • Monoisotopic mass676.431519 Da
  • ChemSpider ID113376808

  • 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,12Z)-9,12-heptadecadienoate [ACD/IUPAC Name]
(15R,21S)-18,21,22-Trihydroxy-18-oxido-12-oxo-13,17,19-trioxa-18λ5-phosphadocosan-15-yl-(9Z,12Z)-9,12-heptadecadienoat [German] [ACD/IUPAC Name]
(9Z,12Z)-9,12-Heptadécadiénoate de (15R,21S)-18,21,22-trihydroxy-12-oxo-18-oxydo-13,17,19-trioxa-18λ5-phosphadocosan-15-yle [French] [ACD/IUPAC Name]
9,12-Heptadecadienoic acid, (1R)-2-[[[(2S)-2,3-dihydroxypropoxy]hydroxyphosphinyl]oxy]-1-[[(1-oxododecyl)oxy]methyl]ethyl ester, (9Z,12Z)- [ACD/Index Name]
1-dodecanoyl-2-(9Z,12Z-heptadecadienoyl)-glycero-3-phospho-(1'-sn-glycerol)
PG(12:0/17:2(9Z,12Z))
PG(12:0_17:2)
PG(29:2)

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

Density: 1.1±0.1 g/cm3
Boiling Point: 734.6±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.5 mmHg at 25°C
Enthalpy of Vaporization: 122.4±6.0 kJ/mol
Flash Point: 398.1±35.7 °C
Index of Refraction: 1.491
Molar Refractivity: 182.8±0.3 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 35
#Rule of 5 Violations: 3
ACD/LogP: 10.40
ACD/LogD (pH 5.5): 5.82
ACD/BCF (pH 5.5): 2353.55
ACD/KOC (pH 5.5): 957.87
ACD/LogD (pH 7.4): 5.75
ACD/BCF (pH 7.4): 1990.48
ACD/KOC (pH 7.4): 810.11
Polar Surface Area: 159 Å2
Polarizability: 72.4±0.5 10-24cm3
Surface Tension: 42.0±3.0 dyne/cm
Molar Volume: 630.6±3.0 cm3

Click to predict properties on the Chemicalize site


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