ChemSpider 2D Image | (21R)-27-Amino-24-hydroxy-24-oxido-18-oxo-19,23,25-trioxa-24lambda~5~-phosphaheptacosan-21-yl (13Z)-13-docosenoate | C45H88NO8P

(21R)-27-Amino-24-hydroxy-24-oxido-18-oxo-19,23,25-trioxa-24λ5-phosphaheptacosan-21-yl (13Z)-13-docosenoate

  • Molecular FormulaC45H88NO8P
  • Average mass802.156 Da
  • Monoisotopic mass801.624756 Da
  • ChemSpider ID7825800

  • 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 (21R)-27-amino-24-hydroxy-18-oxo-24-oxydo-19,23,25-trioxa-24λ5-phosphaheptacosan-21-yle [French] [ACD/IUPAC Name]
(21R)-27-Amino-24-hydroxy-24-oxido-18-oxo-19,23,25-trioxa-24λ5-phosphaheptacosan-21-yl (13Z)-13-docosenoate [ACD/IUPAC Name]
(21R)-27-Amino-24-hydroxy-24-oxido-18-oxo-19,23,25-trioxa-24λ5-phosphaheptacosan-21-yl-(13Z)-13-docosenoat [German] [ACD/IUPAC Name]
13-Docosenoic acid, (1R)-2-[[(2-aminoethoxy)hydroxyphosphinyl]oxy]-1-[[(1-oxooctadecyl)oxy]methyl]ethyl ester, (13Z)- [ACD/Index Name]
(2-AMINOETHOXY)[(2R)-2-[(13Z)-DOCOS-13-ENOYLOXY]-3-(OCTADECANOYLOXY)PROPOXY]PHOSPHINIC ACID
13-Docosenoic acid, 1-[[[(2-aminoethoxy)hydroxyphosphinyl]oxy]methyl]-2-[(1-oxooctadecyl)oxy]ethyl ester, [R-(Z)]-
1-octadecanoyl-2-(13Z-docosenoyl)-sn-glycero-3-phosphoethanolamine
1-Stearoyl-2-erucoyl-sn-glycero-3-phosphoethanolamine
2-AMINOETHOXY((2R)-2-[(13Z)-DOCOS-13-ENOYLOXY]-3-(OCTADECANOYLOXY)PROPOXY)PHOSPHINIC ACID
2-aminoethoxy(2R)-2-[(13Z)-docos-13-enoyloxy]-3-(octadecanoyloxy)propoxyphosphinic acid
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

LMGP02010151 [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: 795.0±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.0 mmHg at 25°C
Enthalpy of Vaporization: 125.7±6.0 kJ/mol
Flash Point: 434.6±35.7 °C
Index of Refraction: 1.478
Molar Refractivity: 229.5±0.3 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 46
#Rule of 5 Violations: 2
ACD/LogP: 17.44
ACD/LogD (pH 5.5): 12.26
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 8051912.50
ACD/LogD (pH 7.4): 12.17
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 6486904.00
Polar Surface Area: 144 Å2
Polarizability: 91.0±0.5 10-24cm3
Surface Tension: 38.1±3.0 dyne/cm
Molar Volume: 810.3±3.0 cm3

Click to predict properties on the Chemicalize site


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