Found 5 results

Search term: MF = 'C_{36}H_{72}NO_{9}P'
ChemSpider 2D Image | (15R)-21-Amino-10,18-dihydroxy-18-oxido-12-oxo-13,17,19-trioxa-18lambda~5~-phosphahenicosan-15-yl 17-methyloctadecanoate | C36H72NO9P

(15R)-21-Amino-10,18-dihydroxy-18-oxido-12-oxo-13,17,19-trioxa-18λ5-phosphahenicosan-15-yl 17-methyloctadecanoate

  • Molecular FormulaC36H72NO9P
  • Average mass693.932 Da
  • Monoisotopic mass693.494446 Da
  • ChemSpider ID59695707

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

(15R)-21-Amino-10,18-dihydroxy-18-oxido-12-oxo-13,17,19-trioxa-18λ5-phosphahenicosan-15-yl 17-methyloctadecanoate [ACD/IUPAC Name]
(15R)-21-Amino-10,18-dihydroxy-18-oxido-12-oxo-13,17,19-trioxa-18λ5-phosphahenicosan-15-yl-17-methyloctadecanoat [German] [ACD/IUPAC Name]
17-Méthyloctadécanoate de (15R)-21-amino-10,18-dihydroxy-12-oxo-18-oxydo-13,17,19-trioxa-18λ5-phosphahénicosan-15-yle [French] [ACD/IUPAC Name]
Octadecanoic acid, 17-methyl-, (1R)-2-[[(2-aminoethoxy)hydroxyphosphinyl]oxy]-1-[[(3-hydroxy-1-oxododecyl)oxy]methyl]ethyl ester [ACD/Index Name]
1-3-hydroxydodecanoyl-2-17-methylocatdecanoyl-sn-glycero-3-phosphoethanolamine
GPEtn(12:0/19:0)
GPEtn(31:0)
PE(12:0(3-OH)/19:iso)
PE(12:0/19:0)
PE(31:0)
More...

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

Density: 1.0±0.1 g/cm3
Boiling Point: 736.3±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.5 mmHg at 25°C
Enthalpy of Vaporization: 122.6±6.0 kJ/mol
Flash Point: 399.1±35.7 °C
Index of Refraction: 1.480
Molar Refractivity: 189.2±0.3 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 37
#Rule of 5 Violations: 3
ACD/LogP: 11.20
ACD/LogD (pH 5.5): 7.15
ACD/BCF (pH 5.5): 40398.76
ACD/KOC (pH 5.5): 13424.90
ACD/LogD (pH 7.4): 7.06
ACD/BCF (pH 7.4): 32543.16
ACD/KOC (pH 7.4): 10814.41
Polar Surface Area: 164 Å2
Polarizability: 75.0±0.5 10-24cm3
Surface Tension: 40.4±3.0 dyne/cm
Molar Volume: 666.4±3.0 cm3

Click to predict properties on the Chemicalize site


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