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Search term: 113380854 (Found by CSID)
ChemSpider 2D Image | (7R)-1-Amino-4-hydroxy-7-{[(9Z)-9-octadecenoyloxy]methyl}-9-oxo-3,5,8-trioxa-4-phosphadodecan-12-oic acid 4-oxide | C27H50NO10P

(7R)-1-Amino-4-hydroxy-7-{[(9Z)-9-octadecenoyloxy]methyl}-9-oxo-3,5,8-trioxa-4-phosphadodecan-12-oic acid 4-oxide

  • Molecular FormulaC27H50NO10P
  • Average mass579.660 Da
  • Monoisotopic mass579.317261 Da
  • ChemSpider ID113380854

  • 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

(7R)-1-Amino-4-hydroxy-7-{[(9Z)-9-octadecenoyloxy]methyl}-9-oxo-3,5,8-trioxa-4-phosphadodecan-12-oic acid 4-oxide [ACD/IUPAC Name]
(7R)-1-Amino-4-hydroxy-7-{[(9Z)-9-octadecenoyloxy]methyl}-9-oxo-3,5,8-trioxa-4-phosphadodecan-12-säure-4-oxid [German] [ACD/IUPAC Name]
Acide (7R) 4-oxyde de 1-amino-4-hydroxy-7-{[(9Z)-9-octadecenoyloxy]méthyl}-9-oxo-3,5,8-trioxa-4-phosphadodécan-12-oïque [French] [ACD/IUPAC Name]
Butanedioic acid, mono[(1R)-2-[[(2-aminoethoxy)hydroxyphosphinyl]oxy]-1-[[[(9Z)-1-oxo-9-octadecen-1-yl]oxy]methyl]ethyl] ester [ACD/Index Name]
1-(9Z-octadecenoyl)-2-succinyl-sn-glycero-3-phosphoethanolamine
OS-PE

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

Density: 1.1±0.1 g/cm3
Boiling Point: 689.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.6 mmHg at 25°C
Enthalpy of Vaporization: 110.2±6.0 kJ/mol
Flash Point: 370.9±34.3 °C
Index of Refraction: 1.493
Molar Refractivity: 147.7±0.3 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 29
#Rule of 5 Violations: 3
ACD/LogP: 6.42
ACD/LogD (pH 5.5): 2.10
ACD/BCF (pH 5.5): 3.70
ACD/KOC (pH 5.5): 10.10
ACD/LogD (pH 7.4): 1.82
ACD/BCF (pH 7.4): 1.96
ACD/KOC (pH 7.4): 5.35
Polar Surface Area: 181 Å2
Polarizability: 58.6±0.5 10-24cm3
Surface Tension: 45.6±3.0 dyne/cm
Molar Volume: 507.9±3.0 cm3

Click to predict properties on the Chemicalize site


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