ChemSpider 2D Image | (9Z,21R)-27-Amino-24-hydroxy-24-oxido-18-oxo-19,23,25-trioxa-24lambda~5~-phosphaheptacos-9-en-21-yl (11Z)-11-icosenoate | C43H82NO8P

(9Z,21R)-27-Amino-24-hydroxy-24-oxido-18-oxo-19,23,25-trioxa-24λ5-phosphaheptacos-9-en-21-yl (11Z)-11-icosenoate

  • Molecular FormulaC43H82NO8P
  • Average mass772.087 Da
  • Monoisotopic mass771.577820 Da
  • ChemSpider ID7825776

  • 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

(11Z)-11-Icosénoate de (9Z,21R)-27-amino-24-hydroxy-18-oxo-24-oxydo-19,23,25-trioxa-24λ5-phosphaheptacos-9-én-21-yle [French] [ACD/IUPAC Name]
(9Z,21R)-27-Amino-24-hydroxy-24-oxido-18-oxo-19,23,25-trioxa-24λ5-phosphaheptacos-9-en-21-yl (11Z)-11-icosenoate [ACD/IUPAC Name]
(9Z,21R)-27-Amino-24-hydroxy-24-oxido-18-oxo-19,23,25-trioxa-24λ5-phosphaheptacos-9-en-21-yl-(11Z)-11-icosenoat [German] [ACD/IUPAC Name]
11-Eicosenoic acid, (1R)-2-[[(2-aminoethoxy)hydroxyphosphinyl]oxy]-1-[[[(9Z)-1-oxo-9-octadecen-1-yl]oxy]methyl]ethyl ester, (11Z)- [ACD/Index Name]
1-[[[(2-aminoethoxy)-[R-(Z,Z)]-hydroxyphosphinyl]oxy]methyl]-2-[(1-oxo-9-octadecenyl)oxy]ethyl ester-11-Eicosenoic acid
(2-AMINOETHOXY)[(2R)-2-[(11Z)-ICOS-11-ENOYLOXY]-3-[(9Z)-OCTADEC-9-ENOYLOXY]PROPOXY]PHOSPHINIC ACID
1-(9Z-octadecenoyl)-2-(11Z-eicosenoyl)-sn-glycero-3-phosphoethanolamine
11-Eicosenoic acid, 1-[[[(2-aminoethoxy)hydroxyphosphinyl]oxy]methyl]-2-[(1-oxo-9-octadecenyl)oxy]ethyl ester, [R-(Z,Z)]-
1-Oleoyl-2-eicosenoyl-sn-glycero-3-phosphoethanolamine
2-AMINOETHOXY((2R)-2-[(11Z)-ICOS-11-ENOYLOXY]-3-[(9Z)-OCTADEC-9-ENOYLOXY]PROPOXY)PHOSPHINIC ACID
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

EPA Pesticide Chemical Code 079011 [DBID]
LMGP02010126 [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: 777.0±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.8 mmHg at 25°C
Enthalpy of Vaporization: 123.0±6.0 kJ/mol
Flash Point: 423.7±35.7 °C
Index of Refraction: 1.483
Molar Refractivity: 220.3±0.3 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 43
#Rule of 5 Violations: 2
ACD/LogP: 15.86
ACD/LogD (pH 5.5): 10.75
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 1216509.25
ACD/LogD (pH 7.4): 10.66
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 980062.69
Polar Surface Area: 144 Å2
Polarizability: 87.3±0.5 10-24cm3
Surface Tension: 38.6±3.0 dyne/cm
Molar Volume: 771.0±3.0 cm3

Click to predict properties on the Chemicalize site


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