ChemSpider 2D Image | (25R)-31-Amino-28-hydroxy-28-oxido-22-oxo-23,27,29-trioxa-28lambda~5~-phosphahentriacontan-25-yl (13Z)-13-docosenoate | C49H96NO8P

(25R)-31-Amino-28-hydroxy-28-oxido-22-oxo-23,27,29-trioxa-28λ5-phosphahentriacontan-25-yl (13Z)-13-docosenoate

  • Molecular FormulaC49H96NO8P
  • Average mass858.262 Da
  • Monoisotopic mass857.687378 Da
  • ChemSpider ID7825940

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(13Z)-13-Docosénoate de (25R)-31-amino-28-hydroxy-22-oxo-28-oxydo-23,27,29-trioxa-28λ5-phosphahéntriacontan-25-yle [French] [ACD/IUPAC Name]
(25R)-31-Amino-28-hydroxy-28-oxido-22-oxo-23,27,29-trioxa-28λ5-phosphahentriacontan-25-yl (13Z)-13-docosenoate [ACD/IUPAC Name]
(25R)-31-Amino-28-hydroxy-28-oxido-22-oxo-23,27,29-trioxa-28λ5-phosphahentriacontan-25-yl-(13Z)-13-docosenoat [German] [ACD/IUPAC Name]
13-Docosenoic acid, (1R)-2-[[(2-aminoethoxy)hydroxyphosphinyl]oxy]-1-[[(1-oxodocosyl)oxy]methyl]ethyl ester, (13Z)- [ACD/Index Name]
(2-AMINOETHOXY)[(2R)-2-[(13Z)-DOCOS-13-ENOYLOXY]-3-(DOCOSANOYLOXY)PROPOXY]PHOSPHINIC ACID
13-Docosenoic acid, 1-[[[(2-aminoethoxy)hydroxyphosphinyl]oxy]methyl]-2-[(1-oxodocosyl)oxy]ethyl ester, [R-(Z)]- (9CI)
1-Behenoyl-2-erucoyl-sn-glycero-3-phosphoethanolamine
1-docosanoyl-2-(13Z-docosenoyl)-sn-glycero-3-phosphoethanolamine
2-AMINOETHOXY((2R)-2-[(13Z)-DOCOS-13-ENOYLOXY]-3-(DOCOSANOYLOXY)PROPOXY)PHOSPHINIC ACID
2-aminoethoxy(2R)-2-[(13Z)-docos-13-enoyloxy]-3-(docosanoyloxy)propoxyphosphinic acid
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

LMGP02010291 [DBID]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 829.1±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.5 mmHg at 25°C
Enthalpy of Vaporization: 130.9±6.0 kJ/mol
Flash Point: 455.2±37.1 °C
Index of Refraction: 1.478
Molar Refractivity: 248.1±0.3 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 50
#Rule of 5 Violations: 2
ACD/LogP: 19.56
ACD/LogD (pH 5.5): 13.94
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 13.85
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 144 Å2
Polarizability: 98.3±0.5 10-24cm3
Surface Tension: 37.8±3.0 dyne/cm
Molar Volume: 876.4±3.0 cm3

Click to predict properties on the Chemicalize site


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