Found 1 result

Search term: 113376986 (Found by CSID)
ChemSpider 2D Image | (20R,26S)-23,26,27-Trihydroxy-23-oxido-17-oxo-18,22,24-trioxa-23lambda~5~-phosphaheptacosan-20-yl (13Z,16Z)-13,16-docosadienoate | C45H85O10P

(20R,26S)-23,26,27-Trihydroxy-23-oxido-17-oxo-18,22,24-trioxa-23λ5-phosphaheptacosan-20-yl (13Z,16Z)-13,16-docosadienoate

  • Molecular FormulaC45H85O10P
  • Average mass817.124 Da
  • Monoisotopic mass816.588013 Da
  • ChemSpider ID113376986

  • 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

(13Z,16Z)-13,16-Docosadiénoate de (20R,26S)-23,26,27-trihydroxy-17-oxo-23-oxydo-18,22,24-trioxa-23λ5-phosphaheptacosan-20-yle [French] [ACD/IUPAC Name]
(20R,26S)-23,26,27-Trihydroxy-23-oxido-17-oxo-18,22,24-trioxa-23λ5-phosphaheptacosan-20-yl (13Z,16Z)-13,16-docosadienoate [ACD/IUPAC Name]
(20R,26S)-23,26,27-Trihydroxy-23-oxido-17-oxo-18,22,24-trioxa-23λ5-phosphaheptacosan-20-yl-(13Z,16Z)-13,16-docosadienoat [German] [ACD/IUPAC Name]
13,16-Docosadienoic acid, (1R)-2-[[[(2S)-2,3-dihydroxypropoxy]hydroxyphosphinyl]oxy]-1-[[(1-oxoheptadecyl)oxy]methyl]ethyl ester, (13Z,16Z)- [ACD/Index Name]
1-heptadecanoyl-2-(13Z,16Z-docosadienoyl)-glycero-3-phospho-(1'-sn-glycerol)
PG(17:0/22:2(13Z,16Z))
PG(17:0_22:2)
PG(39:2)

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

Density: 1.0±0.1 g/cm3
Boiling Point: 821.1±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 135.8±6.0 kJ/mol
Flash Point: 450.4±37.1 °C
Index of Refraction: 1.488
Molar Refractivity: 229.1±0.3 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 45
#Rule of 5 Violations: 3
ACD/LogP: 15.71
ACD/LogD (pH 5.5): 10.00
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 179475.41
ACD/LogD (pH 7.4): 9.93
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 151789.09
Polar Surface Area: 159 Å2
Polarizability: 90.8±0.5 10-24cm3
Surface Tension: 40.1±3.0 dyne/cm
Molar Volume: 795.7±3.0 cm3

Click to predict properties on the Chemicalize site


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