Found 1 result

Search term: 113377159 (Found by CSID)
ChemSpider 2D Image | (3Z,6Z,9Z,12Z,21R,27S)-24,27,28-Trihydroxy-24-oxido-18-oxo-19,23,25-trioxa-24lambda~5~-phosphaoctacosa-3,6,9,12-tetraen-21-yl (11Z)-11-docosenoate | C46H81O10P

(3Z,6Z,9Z,12Z,21R,27S)-24,27,28-Trihydroxy-24-oxido-18-oxo-19,23,25-trioxa-24λ5-phosphaoctacosa-3,6,9,12-tetraen-21-yl (11Z)-11-docosenoate

  • Molecular FormulaC46H81O10P
  • Average mass825.103 Da
  • Monoisotopic mass824.556763 Da
  • ChemSpider ID113377159

  • 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

(11Z)-11-Docosénoate de (3Z,6Z,9Z,12Z,21R,27S)-24,27,28-trihydroxy-18-oxo-24-oxydo-19,23,25-trioxa-24λ5-phosphaoctacosa-3,6,9,12-tétraén-21-yle [French] [ACD/IUPAC Name]
(3Z,6Z,9Z,12Z,21R,27S)-24,27,28-Trihydroxy-24-oxido-18-oxo-19,23,25-trioxa-24λ5-phosphaoctacosa-3,6,9,12-tetraen-21-yl (11Z)-11-docosenoate [ACD/IUPAC Name]
(3Z,6Z,9Z,12Z,21R,27S)-24,27,28-Trihydroxy-24-oxido-18-oxo-19,23,25-trioxa-24λ5-phosphaoctacosa-3,6,9,12-tetraen-21-yl-(11Z)-11-docosenoat [German] [ACD/IUPAC Name]
11-Docosenoic acid, (1R)-2-[[[(2S)-2,3-dihydroxypropoxy]hydroxyphosphinyl]oxy]-1-[[[(6Z,9Z,12Z,15Z)-1-oxo-6,9,12,15-octadecatetraen-1-yl]oxy]methyl]ethyl ester, (11Z)- [ACD/Index Name]
1-(6Z,9Z,12Z,15Z-octadecatetraenoyl)-2-(11Z-docosenoyl)-glycero-3-phospho-(1'-sn-glycerol)
PG(18:4(6Z,9Z,12Z,15Z)/22:1(11Z))
PG(18:4_22:1)
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: 14.43
ACD/LogD (pH 5.5): 8.81
ACD/BCF (pH 5.5): 437960.22
ACD/KOC (pH 5.5): 40359.04
ACD/LogD (pH 7.4): 8.73
ACD/BCF (pH 7.4): 370403.88
ACD/KOC (pH 7.4): 34133.57
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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