Found 1 result

Search term: 113377803 (Found by CSID)
ChemSpider 2D Image | (19Z,23R,29S)-26,29,30-Trihydroxy-26-oxido-21,25,27-trioxa-26lambda~5~-phosphatriacont-19-en-23-yl (13Z,16Z)-13,16-docosadienoate | C48H91O9P

(19Z,23R,29S)-26,29,30-Trihydroxy-26-oxido-21,25,27-trioxa-26λ5-phosphatriacont-19-en-23-yl (13Z,16Z)-13,16-docosadienoate

  • Molecular FormulaC48H91O9P
  • Average mass843.205 Da
  • Monoisotopic mass842.640076 Da
  • ChemSpider ID113377803

  • 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 (19Z,23R,29S)-26,29,30-trihydroxy-26-oxydo-21,25,27-trioxa-26λ5-phosphatriacont-19-én-23-yle [French] [ACD/IUPAC Name]
(19Z,23R,29S)-26,29,30-Trihydroxy-26-oxido-21,25,27-trioxa-26λ5-phosphatriacont-19-en-23-yl (13Z,16Z)-13,16-docosadienoate [ACD/IUPAC Name]
(19Z,23R,29S)-26,29,30-Trihydroxy-26-oxido-21,25,27-trioxa-26λ5-phosphatriacont-19-en-23-yl-(13Z,16Z)-13,16-docosadienoat [German] [ACD/IUPAC Name]
13,16-Docosadienoic acid, (1R)-2-[[[(2S)-2,3-dihydroxypropoxy]hydroxyphosphinyl]oxy]-1-[[(1Z)-1-eicosen-1-yloxy]methyl]ethyl ester, (13Z,16Z)- [ACD/Index Name]
1-(1Z-eicosenyl)-2-(13Z,16Z-docosadienoyl)-glycero-3-phospho-(1'-sn-glycerol)
PG(P-20:0/22:2(13Z,16Z))
PG(P-20:0/22:2)
PG(P-42:2)

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

Density: 1.0±0.1 g/cm3
Boiling Point: 837.3±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 138.4±6.0 kJ/mol
Flash Point: 460.2±37.1 °C
Index of Refraction: 1.489
Molar Refractivity: 243.0±0.3 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 47
#Rule of 5 Violations: 2
ACD/LogP: 17.88
ACD/LogD (pH 5.5): 11.76
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 1631551.25
ACD/LogD (pH 7.4): 11.69
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 1375027.50
Polar Surface Area: 142 Å2
Polarizability: 96.3±0.5 10-24cm3
Surface Tension: 39.1±3.0 dyne/cm
Molar Volume: 841.7±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement