ChemSpider 2D Image | beta-D-GlcpA-(1->4)-beta-D-GlcpOCH2CH2NH2 | C14H25NO12


  • Molecular FormulaC14H25NO12
  • Average mass399.348 Da
  • Monoisotopic mass399.137665 Da
  • ChemSpider ID58827537
  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

2-Aminoethyl 4-O-β-D-glucopyranuronosyl-β-D-glucopyranoside [ACD/IUPAC Name]
2-Aminoethyl-4-O-β-D-glucopyranuronosyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
4-O-β-D-Glucopyranuronosyl-β-D-glucopyranoside de 2-aminoéthyle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, 2-aminoethyl 4-O-β-D-glucopyranuronosyl- [ACD/Index Name]
2-aminoethyl β-D-glucopyranuronosyl-(1->4)-β-D-glucopyranoside
2-aminoethyl β-D-glucuronosyl-(1->4)-β-D-glucoside
  • Miscellaneous
    • Chemical Class:

      A <stereo>beta</stereo>-<stereo>D</stereo>-glucoside that is the 2-aminoethyl glycoside of a disaccharide consisting of <stereo>beta</stereo>-<stereo>D</stereo>-glucuronosyl and <stereo>beta</stereo>- <stereo>D</stereo>-glucosyl residues linked (1<arrow>right</arrow>4). ChEBI CHEBI:134034
      A beta-D-glucoside that is the 2-aminoethyl glycoside of a disaccharide consisting of beta-D-glucuronosyl and beta-; D-glucosyl residues linked (1right4). ChEBI

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.7±0.1 g/cm3
Boiling Point: 760.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.8 mmHg at 25°C
Enthalpy of Vaporization: 126.3±6.0 kJ/mol
Flash Point: 413.4±32.9 °C
Index of Refraction: 1.633
Molar Refractivity: 84.0±0.4 cm3
#H bond acceptors: 13
#H bond donors: 9
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: -3.61
ACD/LogD (pH 5.5): -6.28
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.31
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 222 Å2
Polarizability: 33.3±0.5 10-24cm3
Surface Tension: 101.7±5.0 dyne/cm
Molar Volume: 235.2±5.0 cm3

Click to predict properties on the Chemicalize site