ChemSpider 2D Image | (3aS,4R,11aR)-6-Hydroxy-2,2,11a-trimethyl-5,10-dioxo-3a,4,5,10,11,11a-hexahydroanthra[2,3-d][1,3]dioxol-4-yl 2,3,4,6-tetra-O-acetyl-D-glucopyranoside | C32H36O15

(3aS,4R,11aR)-6-Hydroxy-2,2,11a-trimethyl-5,10-dioxo-3a,4,5,10,11,11a-hexahydroanthra[2,3-d][1,3]dioxol-4-yl 2,3,4,6-tetra-O-acetyl-D-glucopyranoside

  • Molecular FormulaC32H36O15
  • Average mass660.619 Da
  • Monoisotopic mass660.205444 Da
  • ChemSpider ID24535389

  • defined stereocentres - 7 of 8 defined stereocentres

More details:

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

(3aS,4R,11aR)-6-Hydroxy-2,2,11a-trimethyl-5,10-dioxo-3a,4,5,10,11,11a-hexahydroanthra[2,3-d][1,3]dioxol-4-yl 2,3,4,6-tetra-O-acetyl-D-glucopyranoside [ACD/IUPAC Name]
(3aS,4R,11aR)-6-Hydroxy-2,2,11a-trimethyl-5,10-dioxo-3a,4,5,10,11,11a-hexahydroanthra[2,3-d][1,3]dioxol-4-yl-2,3,4,6-tetra-O-acetyl-D-glucopyranosid [German] [ACD/IUPAC Name]
2,3,4,6-Tétra-O-acétyl-D-glucopyranoside de (3aS,4R,11aR)-6-hydroxy-2,2,11a-triméthyl-5,10-dioxo-3a,4,5,10,11,11a-hexahydroanthra[2,3-d][1,3]dioxol-4-yle [French] [ACD/IUPAC Name]
Anthra[2,3-d]-1,3-dioxole-5,10-dione, 3a,4,11,11a-tetrahydro-9-hydroxy-2,2,3a-trimethyl-11-[(2,3,4,6-tetra-O-acetyl-D-glucopyranosyl)oxy]-, (3aR,11R,11aS)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 739.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 111.6±3.0 kJ/mol
Flash Point: 231.2±26.4 °C
Index of Refraction: 1.585
Molar Refractivity: 154.4±0.4 cm3
#H bond acceptors: 15
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: 6.30
ACD/LogD (pH 5.5): 5.16
ACD/BCF (pH 5.5): 4859.96
ACD/KOC (pH 5.5): 14824.84
ACD/LogD (pH 7.4): 4.33
ACD/BCF (pH 7.4): 716.70
ACD/KOC (pH 7.4): 2186.23
Polar Surface Area: 196 Å2
Polarizability: 61.2±0.5 10-24cm3
Surface Tension: 62.0±5.0 dyne/cm
Molar Volume: 460.8±5.0 cm3

Click to predict properties on the Chemicalize site


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