Found 1 result

Search term: CCCCCCCCC=CCCCCCCCC(=O)OCC(COP(=O)(O)OCCN)OC(=O)CCCCCCCC=CCCCCCCCC (Found by conversion of search term to chemical structure (full match))
ChemSpider 2D Image | 3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(oleoyloxy)propyl octadec-9-enoate | C41H78NO8P

3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(oleoyloxy)propyl octadec-9-enoate

  • Molecular FormulaC41H78NO8P
  • Average mass744.034 Da
  • Monoisotopic mass743.546509 Da
  • ChemSpider ID97295

More details:

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

3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(oleoyloxy)propyl 9-octadecenoatato [ACD/IUPAC Name]
3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(oleoyloxy)propyl octadec-9-enoate
3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(oleoyloxy)propyl-9-octadecenoat [German] [ACD/IUPAC Name]
9-Octadécénoate de 3-{[(2-aminoéthoxy)(hydroxy)phosphoryl]oxy}-2-(oleoyloxy)propyle [French] [ACD/IUPAC Name]
9-Octadecenoic acid, 1-[[[(2-aminoethoxy)hydroxyphosphinyl]oxy]methyl]-1,2-ethanediyl ester [ACD/Index Name]
MFCD16621009
OCTADEC-9-ENOIC ACID 2-((2-AMINO-ETHOXY)-HYDROXY-PHOSPHORYLOXY)-1-OCTADEC-9-ENOYLOXYMETHYL-ETHYL ESTER

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

Density: 1.0±0.1 g/cm3
Boiling Point: 759.2±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.5 mmHg at 25°C
Enthalpy of Vaporization: 120.3±6.0 kJ/mol
Flash Point: 413.0±35.7 °C
Index of Refraction: 1.484
Molar Refractivity: 211.1±0.3 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 41
#Rule of 5 Violations: 2
ACD/LogP: 14.79
ACD/LogD (pH 5.5): 10.11
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 546143.25
ACD/LogD (pH 7.4): 10.02
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 439991.75
Polar Surface Area: 144 Å2
Polarizability: 83.7±0.5 10-24cm3
Surface Tension: 38.8±3.0 dyne/cm
Molar Volume: 737.9±3.0 cm3

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