Found 1 result

Search term: 113380835 (Found by CSID)
ChemSpider 2D Image | (7R,13E)-1-Amino-4-hydroxy-9,12-dioxo-7-[(palmitoyloxy)methyl]-3,5,8-trioxa-4-phosphapentadec-13-en-15-oic acid 4-oxide | C28H50NO11P

(7R,13E)-1-Amino-4-hydroxy-9,12-dioxo-7-[(palmitoyloxy)methyl]-3,5,8-trioxa-4-phosphapentadec-13-en-15-oic acid 4-oxide

  • Molecular FormulaC28H50NO11P
  • Average mass607.670 Da
  • Monoisotopic mass607.312134 Da
  • ChemSpider ID113380835

  • 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,13E)-1-Amino-4-hydroxy-9,12-dioxo-7-[(palmitoyloxy)methyl]-3,5,8-trioxa-4-phosphapentadec-13-en-15-oic acid 4-oxide [ACD/IUPAC Name]
(7R,13E)-1-Amino-4-hydroxy-9,12-dioxo-7-[(palmitoyloxy)methyl]-3,5,8-trioxa-4-phosphapentadec-13-en-15-säure-4-oxid [German] [ACD/IUPAC Name]
2-Heptenedioic acid, 4-oxo-, 7-[(1R)-2-[[(2-aminoethoxy)hydroxyphosphinyl]oxy]-1-[[(1-oxohexadecyl)oxy]methyl]ethyl] ester, (2E)- [ACD/Index Name]
Acide (7R,13E) 4-oxyde de 1-amino-4-hydroxy-9,12-dioxo-7-[(palmitoyloxy)méthyl]-3,5,8-trioxa-4-phosphapentadéc-13-én-15-oïque [French] [ACD/IUPAC Name]
1-hexadecanoyl-2-(4-oxo-6-carboxy-5E-hexenoyl)-sn-glycero-3-phosphoethanolamine
1-palmitoyl-2-(4-oxo-6-carboxy-5E-hexenoyl)-sn-glycero-3-phosphoethanolamine
PKHdiA-PE

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

Density: 1.2±0.1 g/cm3
Boiling Point: 738.4±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.3 mmHg at 25°C
Enthalpy of Vaporization: 117.2±6.0 kJ/mol
Flash Point: 400.4±35.7 °C
Index of Refraction: 1.496
Molar Refractivity: 152.4±0.3 cm3
#H bond acceptors: 12
#H bond donors: 4
#Freely Rotating Bonds: 30
#Rule of 5 Violations: 3
ACD/LogP: 6.11
ACD/LogD (pH 5.5): 1.48
ACD/BCF (pH 5.5): 1.14
ACD/KOC (pH 5.5): 3.92
ACD/LogD (pH 7.4): 1.36
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.97
Polar Surface Area: 199 Å2
Polarizability: 60.4±0.5 10-24cm3
Surface Tension: 46.8±3.0 dyne/cm
Molar Volume: 521.5±3.0 cm3

Click to predict properties on the Chemicalize site


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