ChemSpider 2D Image | 6-O-(2,4-Dihydroxy-6-methylbenzoyl)-beta-D-glucopyranosyl 6-O-(2,4-dihydroxy-6-methylbenzoyl)-alpha-D-glucopyranoside | C28H34O17

6-O-(2,4-Dihydroxy-6-methylbenzoyl)-β-D-glucopyranosyl 6-O-(2,4-dihydroxy-6-methylbenzoyl)-α-D-glucopyranoside

  • Molecular FormulaC28H34O17
  • Average mass642.559 Da
  • Monoisotopic mass642.179626 Da
  • ChemSpider ID34500845

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

6-O-(2,4-Dihydroxy-6-méthylbenzoyl)-α-D-glucopyranoside de 6-O-(2,4-dihydroxy-6-méthylbenzoyl)-β-D-glucopyranosyle [French] [ACD/IUPAC Name]
6-O-(2,4-Dihydroxy-6-methylbenzoyl)-β-D-glucopyranosyl 6-O-(2,4-dihydroxy-6-methylbenzoyl)-α-D-glucopyranoside [ACD/IUPAC Name]
6-O-(2,4-Dihydroxy-6-methylbenzoyl)-β-D-glucopyranosyl-6-O-(2,4-dihydroxy-6-methylbenzoyl)-α-D-glucopyranosid [German] [ACD/IUPAC Name]
α-D-Glucopyranoside, 6-O-(2,4-dihydroxy-6-methylbenzoyl)-β-D-glucopyranosyl, 6-(2,4-dihydroxy-6-methylbenzoate) [ACD/Index Name]
epi-brartemicin; 6,6'-Bis-(2,4-dihydroxy-6-methylbenzoate)-α,β-trehalose

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

Density: 1.7±0.1 g/cm3
Boiling Point: 942.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 143.6±3.0 kJ/mol
Flash Point: 306.2±27.8 °C
Index of Refraction: 1.710
Molar Refractivity: 145.5±0.4 cm3
#H bond acceptors: 17
#H bond donors: 10
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: 4.80
ACD/LogD (pH 5.5): 2.32
ACD/BCF (pH 5.5): 33.97
ACD/KOC (pH 5.5): 433.15
ACD/LogD (pH 7.4): 2.12
ACD/BCF (pH 7.4): 21.30
ACD/KOC (pH 7.4): 271.60
Polar Surface Area: 283 Å2
Polarizability: 57.7±0.5 10-24cm3
Surface Tension: 111.9±5.0 dyne/cm
Molar Volume: 372.2±5.0 cm3

Click to predict properties on the Chemicalize site


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