ChemSpider 2D Image | 2,6-Dimethyl-4-heptanyl 4-O-alpha-D-glucopyranosyl-beta-D-glucopyranoside | C21H40O11

2,6-Dimethyl-4-heptanyl 4-O-α-D-glucopyranosyl-β-D-glucopyranoside

  • Molecular FormulaC21H40O11
  • Average mass468.536 Da
  • Monoisotopic mass468.257050 Da
  • ChemSpider ID30783105
  • defined stereocentres - 10 of 10 defined stereocentres


More details:






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

2,6-Dimethyl-4-heptanyl 4-O-α-D-glucopyranosyl-β-D-glucopyranoside [ACD/IUPAC Name]
2,6-Dimethyl-4-heptanyl-4-O-α-D-glucopyranosyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
4-O-α-D-Glucopyranosyl-β-D-glucopyranoside de 2,6-diméthyl-4-heptanyle [French] [ACD/IUPAC Name]
869638-31-3 [RN]
β-D-Glucopyranoside, 3-methyl-1-(2-methylpropyl)butyl 4-O-α-D-glucopyranosyl- [ACD/Index Name]
[869638-31-3]
2,6-Dimethyl-4-heptyl-b-D-maltopyranoside
2,6-Dimethyl-4-heptyl-β-D-maltopyranoside
3-Methyl-1-(2-methylpropyl)butyl 4-O-??-D-glucopyranosyl-??-D-Glucopyranoside,
MFCD09750643 [MDL number]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 667.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.6 mmHg at 25°C
Enthalpy of Vaporization: 112.3±6.0 kJ/mol
Flash Point: 357.4±31.5 °C
Index of Refraction: 1.557
Molar Refractivity: 112.6±0.4 cm3
#H bond acceptors: 11
#H bond donors: 7
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 0.54
ACD/LogD (pH 5.5): -0.42
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 14.16
ACD/LogD (pH 7.4): -0.42
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 14.16
Polar Surface Area: 179 Å2
Polarizability: 44.6±0.5 10-24cm3
Surface Tension: 63.3±5.0 dyne/cm
Molar Volume: 349.6±5.0 cm3

Click to predict properties on the Chemicalize site






Advertisement