ChemSpider 2D Image | (19R)-22,25-Dihydroxy-22-oxido-16-oxo-17,21-dioxa-23-aza-22lambda~5~-phosphapentacosan-19-yl palmitate | C37H74NO8P

(19R)-22,25-Dihydroxy-22-oxido-16-oxo-17,21-dioxa-23-aza-22λ5-phosphapentacosan-19-yl palmitate

  • Molecular FormulaC37H74NO8P
  • Average mass691.959 Da
  • Monoisotopic mass691.515198 Da
  • ChemSpider ID44253454

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(19R)-22,25-Dihydroxy-22-oxido-16-oxo-17,21-dioxa-23-aza-22λ5-phosphapentacosan-19-yl palmitate [ACD/IUPAC Name]
(19R)-22,25-Dihydroxy-22-oxido-16-oxo-17,21-dioxa-23-aza-22λ5-phosphapentacosan-19-ylpalmitat [German] [ACD/IUPAC Name]
Hexadecanoic acid, (1R)-2-[[hydroxy[(2-hydroxyethyl)amino]phosphinyl]oxy]-1-[[(1-oxohexadecyl)oxy]methyl]ethyl ester [ACD/Index Name]
Palmitate de (19R)-22,25-dihydroxy-16-oxo-22-oxydo-17,21-dioxa-23-aza-22λ5-phosphapentacosan-19-yle [French] [ACD/IUPAC Name]
[(2R)-2,3-bis(hexadecanoyloxy)propoxy][(2-hydroxyethyl)amino]phosphinic acid
1,2-Dipalmitoyl-sn-glycero-3-phosphorylethanolamine
923-61-5 [RN]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 736.7±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.5 mmHg at 25°C
Enthalpy of Vaporization: 122.7±6.0 kJ/mol
Flash Point: 399.3±35.7 °C
Index of Refraction: 1.477
Molar Refractivity: 192.3±0.3 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 39
#Rule of 5 Violations: 2
ACD/LogP: 13.02
ACD/LogD (pH 5.5): 9.80
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 474311.38
ACD/LogD (pH 7.4): 8.65
ACD/BCF (pH 7.4): 332811.41
ACD/KOC (pH 7.4): 33472.25
Polar Surface Area: 141 Å2
Polarizability: 76.2±0.5 10-24cm3
Surface Tension: 39.2±3.0 dyne/cm
Molar Volume: 681.0±3.0 cm3

Click to predict properties on the Chemicalize site


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