ChemSpider 2D Image | (19R)-25-Amino-22-hydroxy-22-oxido-17,21,23-trioxa-22lambda~5~-phosphapentacosan-19-yl (9Z)-9-octadecenoate | C39H78NO7P

(19R)-25-Amino-22-hydroxy-22-oxido-17,21,23-trioxa-22λ5-phosphapentacosan-19-yl (9Z)-9-octadecenoate

  • Molecular FormulaC39H78NO7P
  • Average mass704.013 Da
  • Monoisotopic mass703.551575 Da
  • ChemSpider ID24769220
  • 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

(19R)-25-Amino-22-hydroxy-22-oxido-17,21,23-trioxa-22λ5-phosphapentacosan-19-yl (9Z)-9-octadecenoate [ACD/IUPAC Name]
(19R)-25-Amino-22-hydroxy-22-oxido-17,21,23-trioxa-22λ5-phosphapentacosan-19-yl-(9Z)-9-octadecenoat [German] [ACD/IUPAC Name]
(9Z)-9-Octadécénoate de (19R)-25-amino-22-hydroxy-22-oxydo-17,21,23-trioxa-25-phosphapentacosan-19-yle [French] [ACD/IUPAC Name]
9-Octadecenoic acid, (1R)-2-[[(2-aminoethoxy)hydroxyphosphinyl]oxy]-1-[(hexadecyloxy)methyl]ethyl ester, (9Z)- [ACD/Index Name]
(2-AMINOETHOXY)[(2R)-3-(HEXADECYLOXY)-2-[(9Z)-OCTADEC-9-ENOYLOXY]PROPOXY]PHOSPHINIC ACID
119904-40-4 [RN]
1-hexadecyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoethanolamine
2-(9Z-Octadecanoyl)-1-hexadecyl-sn-glycero-3-phosphoethanolamine
2-AMINOETHOXY((2R)-3-(HEXADECYLOXY)-2-[(9Z)-OCTADEC-9-ENOYLOXY]PROPOXY)PHOSPHINIC ACID
2-aminoethoxy(2R)-3-(hexadecyloxy)-2-[(9Z)-octadec-9-enoyloxy]propoxyphosphinic acid
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

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

Density: 1.0±0.1 g/cm3
Boiling Point: 730.3±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.1 mmHg at 25°C
Enthalpy of Vaporization: 116.1±6.0 kJ/mol
Flash Point: 395.5±35.7 °C
Index of Refraction: 1.477
Molar Refractivity: 201.7±0.3 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 40
#Rule of 5 Violations: 2
ACD/LogP: 14.75
ACD/LogD (pH 5.5): 10.32
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 707292.25
ACD/LogD (pH 7.4): 10.23
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 571146.75
Polar Surface Area: 127 Å2
Polarizability: 80.0±0.5 10-24cm3
Surface Tension: 37.7±3.0 dyne/cm
Molar Volume: 714.2±3.0 cm3

Click to predict properties on the Chemicalize site






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