Found 6 results

Search term: MTILEUGHINFLTP (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (2S,3R,26R,27R)-2,27-Diamino-1,26-dihydroxy-11-oxo-3-octacosanyl beta-D-glucopyranoside | C34H68N2O9

(2S,3R,26R,27R)-2,27-Diamino-1,26-dihydroxy-11-oxo-3-octacosanyl β-D-glucopyranoside

  • Molecular FormulaC34H68N2O9
  • Average mass648.912 Da
  • Monoisotopic mass648.492493 Da
  • ChemSpider ID8162316

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(2S,3R,26R,27R)-2,27-Diamino-1,26-dihydroxy-11-oxo-3-octacosanyl β-D-glucopyranoside [ACD/IUPAC Name]
(2S,3R,26R,27R)-2,27-Diamino-1,26-dihydroxy-11-oxo-3-octacosanyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
11-Octacosanone, 2,27-diamino-3-(β-D-glucopyranosyloxy)-1,26-dihydroxy-, (2S,3R,26R,27R)- [ACD/Index Name]
β-D-Glucopyranoside de (2S,3R,26R,27R)-2,27-diamino-1,26-dihydroxy-11-oxo-3-octacosanyle [French] [ACD/IUPAC Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL459686/

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

Density: 1.1±0.1 g/cm3
Boiling Point: 824.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 136.4±6.0 kJ/mol
Flash Point: 452.7±34.3 °C
Index of Refraction: 1.535
Molar Refractivity: 177.3±0.4 cm3
#H bond acceptors: 11
#H bond donors: 10
#Freely Rotating Bonds: 29
#Rule of 5 Violations: 3
ACD/LogP: 3.54
ACD/LogD (pH 5.5): -1.89
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.45
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 209 Å2
Polarizability: 70.3±0.5 10-24cm3
Surface Tension: 55.2±5.0 dyne/cm
Molar Volume: 569.3±5.0 cm3

Click to predict properties on the Chemicalize site


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