ChemSpider 2D Image | (15R)-21-Amino-18-hydroxy-18-oxido-12-oxo-13,17,19-trioxa-18lambda~5~-phosphahenicosan-15-yl tridecanoate | C30H60NO8P

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

  • Molecular FormulaC30H60NO8P
  • Average mass593.773 Da
  • Monoisotopic mass593.405640 Da
  • ChemSpider ID2497491
  • 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 tridecanoate [ACD/IUPAC Name]
(15R)-21-Amino-18-hydroxy-18-oxido-12-oxo-13,17,19-trioxa-18λ5-phosphahenicosan-15-yl-tridecanoat [German] [ACD/IUPAC Name]
Tridécanoate de (15R)-21-amino-18-hydroxy-12-oxo-18-oxydo-13,17,19-trioxa-18λ5-phosphahénicosan-15-yle [French] [ACD/IUPAC Name]
Tridecanoic acid, (1R)-2-[[(2-aminoethoxy)hydroxyphosphinyl]oxy]-1-[[(1-oxododecyl)oxy]methyl]ethyl ester [ACD/Index Name]
12:0-13:0 PE
1246304-47-1 [RN]
1-dodecanoyl-2-tridecanoyl-sn-glycero-3-phosphoethanolamine
GPEtn(12:0/13:0)

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

LMGP02010008 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.0±0.1 g/cm3
Boiling Point: 656.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.3 mmHg at 25°C
Enthalpy of Vaporization: 105.4±6.0 kJ/mol
Flash Point: 350.7±34.3 °C
Index of Refraction: 1.474
Molar Refractivity: 160.0±0.3 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 32
#Rule of 5 Violations: 2
ACD/LogP: 9.98
ACD/LogD (pH 5.5): 6.72
ACD/BCF (pH 5.5): 18857.25
ACD/KOC (pH 5.5): 7781.52
ACD/LogD (pH 7.4): 6.62
ACD/BCF (pH 7.4): 15192.08
ACD/KOC (pH 7.4): 6269.07
Polar Surface Area: 144 Å2
Polarizability: 63.4±0.5 10-24cm3
Surface Tension: 39.8±3.0 dyne/cm
Molar Volume: 569.1±3.0 cm3

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