Found 1 result

Search term: 113380844 (Found by CSID)
ChemSpider 2D Image | (7R,18E)-1-Amino-4,17-dihydroxy-9-oxo-7-[(palmitoyloxy)methyl]-3,5,8-trioxa-4-phosphaicos-18-en-20-oic acid 4-oxide | C33H62NO11P

(7R,18E)-1-Amino-4,17-dihydroxy-9-oxo-7-[(palmitoyloxy)methyl]-3,5,8-trioxa-4-phosphaicos-18-en-20-oic acid 4-oxide

  • Molecular FormulaC33H62NO11P
  • Average mass679.819 Da
  • Monoisotopic mass679.406067 Da
  • ChemSpider ID113380844

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 2 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(7R,18E)-1-Amino-4,17-dihydroxy-9-oxo-7-[(palmitoyloxy)methyl]-3,5,8-trioxa-4-phosphaicos-18-en-20-oic acid 4-oxide [ACD/IUPAC Name]
(7R,18E)-1-Amino-4,17-dihydroxy-9-oxo-7-[(palmitoyloxy)methyl]-3,5,8-trioxa-4-phosphaicos-18-en-20-säure-4-oxid [German] [ACD/IUPAC Name]
2-Dodecenedioic acid, 4-hydroxy-, 12-[(1R)-2-[[(2-aminoethoxy)hydroxyphosphinyl]oxy]-1-[[(1-oxohexadecyl)oxy]methyl]ethyl] ester, (2E)- [ACD/Index Name]
Acide (7R,18E) 4-oxyde de 1-amino-4,17-dihydroxy-9-oxo-7-[(palmitoyloxy)méthyl]-3,5,8-trioxa-4-phosphaicos-18-én-20-oïque [French] [ACD/IUPAC Name]
1-hexadecanoyl-2-(9-hydroxy-11-carboxy-10E-undecenoyl)-sn-glycero-3-phosphoethanolamine
1-palmitoyl-2-(9-hydroxy-11-carboxy-10E-undecenoyl)-sn-glycero-3-phosphoethanolamine
PHDdiA-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: 773.5±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.0 mmHg at 25°C
Enthalpy of Vaporization: 128.4±6.0 kJ/mol
Flash Point: 421.6±35.7 °C
Index of Refraction: 1.497
Molar Refractivity: 177.0±0.3 cm3
#H bond acceptors: 12
#H bond donors: 5
#Freely Rotating Bonds: 35
#Rule of 5 Violations: 4
ACD/LogP: 8.18
ACD/LogD (pH 5.5): 3.64
ACD/BCF (pH 5.5): 53.44
ACD/KOC (pH 5.5): 66.59
ACD/LogD (pH 7.4): 3.40
ACD/BCF (pH 7.4): 30.88
ACD/KOC (pH 7.4): 38.48
Polar Surface Area: 202 Å2
Polarizability: 70.2±0.5 10-24cm3
Surface Tension: 45.7±3.0 dyne/cm
Molar Volume: 604.8±3.0 cm3

Click to predict properties on the Chemicalize site


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