ChemSpider 2D Image | (-)-Maackiain-3-O-glucosyl-6''-O-malonate | C25H24O13

(-)-Maackiain-3-O-glucosyl-6''-O-malonate

  • Molecular FormulaC25H24O13
  • Average mass532.450 Da
  • Monoisotopic mass532.121704 Da
  • ChemSpider ID22912907

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(-)-Maackiain-3-O-glucosyl-6''-O-malonate
(6aR,12aR)-6a,12a-Dihydro-6H-[1,3]dioxolo[5,6][1]benzofuro[3,2-c]chromen-3-yl 6-O-(carboxyacetyl)-β-D-glucopyranoside [ACD/IUPAC Name]
(6aR,12aR)-6a,12a-Dihydro-6H-[1,3]dioxolo[5,6][1]benzofuro[3,2-c]chromen-3-yl-6-O-(carboxyacetyl)-β-D-glucopyranosid [German] [ACD/IUPAC Name]
135574-57-1 [RN]
6-O-(2-Carboxyacétyl)-β-D-glucopyranoside de (6aR,12aR)-6a,12a-dihydro-6H-[1,3]dioxolo[5,6][1]benzofuro[3,2-c]chromén-3-yle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, (6aR,12aR)-6a,12a-dihydro-6H-[1,3]dioxolo[5,6]benzofuro[3,2-c][1]benzopyran-3-yl, 6-(hydrogen propanedioate)
β-D-Glucopyranoside, (6aR,12aR)-6a,12a-dihydro-6H-[1,3]dioxolo[5,6]benzofuro[3,2-c][1]benzopyran-3-yl, 6-(2-carboxyacetate) [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 758.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 115.9±3.0 kJ/mol
Flash Point: 259.0±26.4 °C
Index of Refraction: 1.658
Molar Refractivity: 121.9±0.3 cm3
#H bond acceptors: 13
#H bond donors: 4
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 1.89
ACD/LogD (pH 5.5): -1.52
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.46
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 180 Å2
Polarizability: 48.3±0.5 10-24cm3
Surface Tension: 76.8±3.0 dyne/cm
Molar Volume: 330.8±3.0 cm3

Click to predict properties on the Chemicalize site


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