ChemSpider 2D Image | Methyl (2xi)-2-acetamido-2-deoxy-3-O-(4-deoxy-4-methyl-alpha-L-idopyranuronosyl)-beta-D-lyxo-hexopyranoside | C16H27NO11

Methyl (2ξ)-2-acetamido-2-deoxy-3-O-(4-deoxy-4-methyl-α-L-idopyranuronosyl)-β-D-lyxo-hexopyranoside

  • Molecular FormulaC16H27NO11
  • Average mass409.386 Da
  • Monoisotopic mass409.158417 Da
  • ChemSpider ID68897347

  • defined stereocentres - 9 of 10 defined stereocentres

More details:

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

(2ξ)-2-Acétamido-2-désoxy-3-O-(4-désoxy-4-méthyl-α-L-idopyranuronosyl)-β-D-lyxo-hexopyranoside de méthyle [French] [ACD/IUPAC Name]
Methyl (2ξ)-2-acetamido-2-deoxy-3-O-(4-deoxy-4-methyl-α-L-idopyranuronosyl)-β-D-lyxo-hexopyranoside [ACD/IUPAC Name]
Methyl-(2ξ)-2-acetamido-2-desoxy-3-O-(4-desoxy-4-methyl-α-L-idopyranuronosyl)-β-D-lyxo-hexopyranosid [German] [ACD/IUPAC Name]
β-D-lyxo-Hexopyranoside, methyl 2-(acetylamino)-2-deoxy-3-O-(4-deoxy-4-methyl-α-L-idopyranuronosyl)-, (2ξ)- [ACD/Index Name]
dermatan L-iduronate

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

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

Density: 1.5±0.1 g/cm3
Boiling Point: 756.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.8 mmHg at 25°C
Enthalpy of Vaporization: 125.7±6.0 kJ/mol
Flash Point: 411.0±32.9 °C
Index of Refraction: 1.574
Molar Refractivity: 90.3±0.4 cm3
#H bond acceptors: 12
#H bond donors: 6
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: -0.89
ACD/LogD (pH 5.5): -3.75
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.99
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 184 Å2
Polarizability: 35.8±0.5 10-24cm3
Surface Tension: 71.8±5.0 dyne/cm
Molar Volume: 273.7±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement