Found 23 results

Search term: MF = 'C_{46}H_{81}O_{10}P'
ChemSpider 2D Image | (6Z,9Z,12Z,21R,27S)-24,27,28-Trihydroxy-24-oxido-18-oxo-19,23,25-trioxa-24lambda~5~-phosphaoctacosa-6,9,12-trien-21-yl (13Z,16Z)-13,16-docosadienoate | C46H81O10P

(6Z,9Z,12Z,21R,27S)-24,27,28-Trihydroxy-24-oxido-18-oxo-19,23,25-trioxa-24λ5-phosphaoctacosa-6,9,12-trien-21-yl (13Z,16Z)-13,16-docosadienoate

  • Molecular FormulaC46H81O10P
  • Average mass825.103 Da
  • Monoisotopic mass824.556763 Da
  • ChemSpider ID113377111

  • 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 (6Z,9Z,12Z,21R,27S)-24,27,28-trihydroxy-18-oxo-24-oxydo-19,23,25-trioxa-24λ5-phosphaoctacosa-6,9,12-trién-21-yle [French] [ACD/IUPAC Name]
(6Z,9Z,12Z,21R,27S)-24,27,28-Trihydroxy-24-oxido-18-oxo-19,23,25-trioxa-24λ5-phosphaoctacosa-6,9,12-trien-21-yl (13Z,16Z)-13,16-docosadienoate [ACD/IUPAC Name]
(6Z,9Z,12Z,21R,27S)-24,27,28-Trihydroxy-24-oxido-18-oxo-19,23,25-trioxa-24λ5-phosphaoctacosa-6,9,12-trien-21-yl-(13Z,16Z)-13,16-docosadienoat [German] [ACD/IUPAC Name]
13,16-Docosadienoic acid, (1R)-2-[[[(2S)-2,3-dihydroxypropoxy]hydroxyphosphinyl]oxy]-1-[[[(6Z,9Z,12Z)-1-oxo-6,9,12-octadecatrien-1-yl]oxy]methyl]ethyl ester, (13Z,16Z)- [ACD/Index Name]
1-(6Z,9Z,12Z-octadecatrienoyl)-2-(13Z,16Z-docosadienoyl)-glycero-3-phospho-(1'-sn-glycerol)
PG(18:3(6Z,9Z,12Z)/22:2(13Z,16Z))
PG(18:3_22:2)
PG(40:5)

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

Density: 1.0±0.1 g/cm3
Boiling Point: 828.5±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 137.0±6.0 kJ/mol
Flash Point: 454.9±37.1 °C
Index of Refraction: 1.502
Molar Refractivity: 233.9±0.3 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 43
#Rule of 5 Violations: 3
ACD/LogP: 14.60
ACD/LogD (pH 5.5): 7.89
ACD/BCF (pH 5.5): 87201.91
ACD/KOC (pH 5.5): 12712.68
ACD/LogD (pH 7.4): 7.81
ACD/BCF (pH 7.4): 73750.82
ACD/KOC (pH 7.4): 10751.72
Polar Surface Area: 159 Å2
Polarizability: 92.7±0.5 10-24cm3
Surface Tension: 40.8±3.0 dyne/cm
Molar Volume: 793.0±3.0 cm3

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