Found 16 results

Search term: MF = 'C_{44}H_{87}NO_{5}'
ChemSpider 2D Image | (2R)-1-{[(2S,3R)-1,3-Dihydroxy-2-octadecanyl]amino}-1-oxo-2-tetracosanyl acetate | C44H87NO5

(2R)-1-{[(2S,3R)-1,3-Dihydroxy-2-octadecanyl]amino}-1-oxo-2-tetracosanyl acetate

  • Molecular FormulaC44H87NO5
  • Average mass710.165 Da
  • Monoisotopic mass709.658447 Da
  • ChemSpider ID8231154

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(2R)-1-{[(2S,3R)-1,3-Dihydroxy-2-octadecanyl]amino}-1-oxo-2-tetracosanyl acetate [ACD/IUPAC Name]
(2R)-1-{[(2S,3R)-1,3-Dihydroxy-2-octadecanyl]amino}-1-oxo-2-tetracosanyl-acetat [German] [ACD/IUPAC Name]
Acétate de (2R)-1-{[(2S,3R)-1,3-dihydroxy-2-octadécanyl]amino}-1-oxo-2-tétracosanyle [French] [ACD/IUPAC Name]
Tetracosanamide, 2-(acetyloxy)-N-[(1S,2R)-2-hydroxy-1-(hydroxymethyl)heptadecyl]-, (2R)- [ACD/Index Name]

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

Density: 0.9±0.1 g/cm3
Boiling Point: 782.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.1 mmHg at 25°C
Enthalpy of Vaporization: 129.8±6.0 kJ/mol
Flash Point: 427.2±32.9 °C
Index of Refraction: 1.475
Molar Refractivity: 214.2±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 41
#Rule of 5 Violations: 2
ACD/LogP: 17.63
ACD/LogD (pH 5.5): 15.99
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 15.99
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 96 Å2
Polarizability: 84.9±0.5 10-24cm3
Surface Tension: 36.3±3.0 dyne/cm
Molar Volume: 760.4±3.0 cm3

Click to predict properties on the Chemicalize site


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