Found 1 result

Search term: 113377393 (Found by CSID)
ChemSpider 2D Image | (24R,30S)-27,30,31-Trihydroxy-27-oxido-21-oxo-22,26,28-trioxa-27lambda~5~-phosphahentriacontan-24-yl (11Z)-11-docosenoate | C49H95O10P

(24R,30S)-27,30,31-Trihydroxy-27-oxido-21-oxo-22,26,28-trioxa-27λ5-phosphahentriacontan-24-yl (11Z)-11-docosenoate

  • Molecular FormulaC49H95O10P
  • Average mass875.246 Da
  • Monoisotopic mass874.666260 Da
  • ChemSpider ID113377393

  • 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 (24R,30S)-27,30,31-trihydroxy-21-oxo-27-oxydo-22,26,28-trioxa-27λ5-phosphahéntriacontan-24-yle [French] [ACD/IUPAC Name]
(24R,30S)-27,30,31-Trihydroxy-27-oxido-21-oxo-22,26,28-trioxa-27λ5-phosphahentriacontan-24-yl (11Z)-11-docosenoate [ACD/IUPAC Name]
(24R,30S)-27,30,31-Trihydroxy-27-oxido-21-oxo-22,26,28-trioxa-27λ5-phosphahentriacontan-24-yl-(11Z)-11-docosenoat [German] [ACD/IUPAC Name]
11-Docosenoic acid, (1R)-2-[[[(2S)-2,3-dihydroxypropoxy]hydroxyphosphinyl]oxy]-1-[[(1-oxoheneicosyl)oxy]methyl]ethyl ester, (11Z)- [ACD/Index Name]
1-heneicosanoyl-2-(11Z-docosenoyl)-glycero-3-phospho-(1'-sn-glycerol)
PG(21:0/22:1(11Z))
PG(21:0_22:1)
PG(43:1)

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

Density: 1.0±0.1 g/cm3
Boiling Point: 854.4±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 141.1±6.0 kJ/mol
Flash Point: 470.5±37.1 °C
Index of Refraction: 1.482
Molar Refractivity: 247.6±0.3 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 50
#Rule of 5 Violations: 3
ACD/LogP: 18.35
ACD/LogD (pH 5.5): 12.65
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 4977896.00
ACD/LogD (pH 7.4): 12.58
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 4209993.50
Polar Surface Area: 159 Å2
Polarizability: 98.1±0.5 10-24cm3
Surface Tension: 39.4±3.0 dyne/cm
Molar Volume: 868.1±3.0 cm3

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