ChemSpider 2D Image | Octyl 3-amino-3-deoxy-2-O-(2,6-dideoxy-alpha-L-lyxo-hexopyranosyl)-beta-D-galactopyranoside | C20H39NO8

Octyl 3-amino-3-deoxy-2-O-(2,6-dideoxy-α-L-lyxo-hexopyranosyl)-β-D-galactopyranoside

  • Molecular FormulaC20H39NO8
  • Average mass421.526 Da
  • Monoisotopic mass421.267578 Da
  • ChemSpider ID25057909

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

3-Amino-3-désoxy-2-O-(2,6-didésoxy-α-L-lyxo-hexopyranosyl)-β-D-galactopyranoside d'octyle [French] [ACD/IUPAC Name]
Octyl 3-amino-3-deoxy-2-O-(2,6-dideoxy-α-L-lyxo-hexopyranosyl)-β-D-galactopyranoside [ACD/IUPAC Name]
Octyl-3-amino-3-desoxy-2-O-(2,6-didesoxy-α-L-lyxo-hexopyranosyl)-β-D-galactopyranosid [German] [ACD/IUPAC Name]
β-D-Galactopyranoside, octyl 3-amino-3-deoxy-2-O-(2,6-dideoxy-α-L-lyxo-hexopyranosyl)- [ACD/Index Name]
(2S,3S,4S,6S)-6-{[(2R,3R,4S,5R,6R)-4-amino-5-hydroxy-6-(hydroxymethyl)-2-(octyloxy)oxan-3-yl]oxy}-2-methyloxane-3,4-diol

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

Density: 1.2±0.1 g/cm3
Boiling Point: 602.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.9 mmHg at 25°C
Enthalpy of Vaporization: 102.8±6.0 kJ/mol
Flash Point: 318.2±31.5 °C
Index of Refraction: 1.537
Molar Refractivity: 107.1±0.4 cm3
#H bond acceptors: 9
#H bond donors: 6
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 3.33
ACD/LogD (pH 5.5): -0.21
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.73
ACD/LogD (pH 7.4): 1.49
ACD/BCF (pH 7.4): 5.87
ACD/KOC (pH 7.4): 85.82
Polar Surface Area: 144 Å2
Polarizability: 42.5±0.5 10-24cm3
Surface Tension: 54.9±5.0 dyne/cm
Molar Volume: 342.7±5.0 cm3

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