Found 21 results

Search term: MF = 'C_{34}H_{66}NO_{8}P'
ChemSpider 2D Image | (15R)-21-Amino-18-hydroxy-18-oxido-12-oxo-13,17,19-trioxa-18lambda~5~-phosphahenicosan-15-yl (9Z)-9-heptadecenoate | C34H66NO8P

(15R)-21-Amino-18-hydroxy-18-oxido-12-oxo-13,17,19-trioxa-18λ5-phosphahenicosan-15-yl (9Z)-9-heptadecenoate

  • Molecular FormulaC34H66NO8P
  • Average mass647.864 Da
  • Monoisotopic mass647.452576 Da
  • ChemSpider ID113375418

  • 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

(15R)-21-Amino-18-hydroxy-18-oxido-12-oxo-13,17,19-trioxa-18λ5-phosphahenicosan-15-yl (9Z)-9-heptadecenoate [ACD/IUPAC Name]
(15R)-21-Amino-18-hydroxy-18-oxido-12-oxo-13,17,19-trioxa-18λ5-phosphahenicosan-15-yl-(9Z)-9-heptadecenoat [German] [ACD/IUPAC Name]
(9Z)-9-Heptadécénoate de (15R)-21-amino-18-hydroxy-12-oxo-18-oxydo-13,17,19-trioxa-18λ5-phosphahénicosan-15-yle [French] [ACD/IUPAC Name]
9-Heptadecenoic acid, (1R)-2-[[(2-aminoethoxy)hydroxyphosphinyl]oxy]-1-[[(1-oxododecyl)oxy]methyl]ethyl ester, (9Z)- [ACD/Index Name]
1-dodecanoyl-2-(9Z-heptadecenoyl)-glycero-3-phosphoethanolamine
PE(12:0/17:1(9Z))
PE(12:0_17:1)
PE(29:1)

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

Density: 1.0±0.1 g/cm3
Boiling Point: 694.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.7 mmHg at 25°C
Enthalpy of Vaporization: 110.9±6.0 kJ/mol
Flash Point: 374.0±34.3 °C
Index of Refraction: 1.480
Molar Refractivity: 178.6±0.3 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 35
#Rule of 5 Violations: 2
ACD/LogP: 11.59
ACD/LogD (pH 5.5): 7.95
ACD/BCF (pH 5.5): 162422.13
ACD/KOC (pH 5.5): 36345.17
ACD/LogD (pH 7.4): 7.86
ACD/BCF (pH 7.4): 130852.84
ACD/KOC (pH 7.4): 29280.92
Polar Surface Area: 144 Å2
Polarizability: 70.8±0.5 10-24cm3
Surface Tension: 39.5±3.0 dyne/cm
Molar Volume: 628.8±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement