Found 40 results

Search term: MF = 'C_{28}H_{32}O_{13}'
ChemSpider 2D Image | (3aR,4S,9R,9aR)-6,7-Dihydroxy-9-(4-hydroxy-3,5-dimethoxyphenyl)-1-oxo-1,3,3a,4,9,9a-hexahydronaphtho[2,3-c]furan-4-yl 4,6-O-[(1R)-ethylidene]-beta-D-glucopyranoside | C28H32O13

(3aR,4S,9R,9aR)-6,7-Dihydroxy-9-(4-hydroxy-3,5-dimethoxyphenyl)-1-oxo-1,3,3a,4,9,9a-hexahydronaphtho[2,3-c]furan-4-yl 4,6-O-[(1R)-ethylidene]-β-D-glucopyranoside

  • Molecular FormulaC28H32O13
  • Average mass576.546 Da
  • Monoisotopic mass576.184265 Da
  • ChemSpider ID31124283

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(3aR,4S,9R,9aR)-6,7-Dihydroxy-9-(4-hydroxy-3,5-dimethoxyphenyl)-1-oxo-1,3,3a,4,9,9a-hexahydronaphtho[2,3-c]furan-4-yl 4,6-O-[(1R)-ethylidene]-β-D-glucopyranoside [ACD/IUPAC Name]
(3aR,4S,9R,9aR)-6,7-Dihydroxy-9-(4-hydroxy-3,5-dimethoxyphenyl)-1-oxo-1,3,3a,4,9,9a-hexahydronaphtho[2,3-c]furan-4-yl-4,6-O-[(1R)-ethyliden]-β-D-glucopyranosid [German] [ACD/IUPAC Name]
4,6-O-[(1R)-Éthylidène]-β-D-glucopyranoside de (3aR,4S,9R,9aR)-6,7-dihydroxy-9-(4-hydroxy-3,5-diméthoxyphényl)-1-oxo-1,3,3a,4,9,9a-hexahydronaphto[2,3-c]furan-4-yle [French] [ACD/IUPAC Name]
Naphtho[2,3-c]furan-1(3H)-one, 4-[[4,6-O-[(1R)-ethylidene]-β-D-glucopyranosyl]oxy]-3a,4,9,9a-tetrahydro-6,7-dihydroxy-9-(4-hydroxy-3,5-dimethoxyphenyl)-, (3aR,4S,9R,9aR)- [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: 847.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 129.1±3.0 kJ/mol
Flash Point: 281.6±27.8 °C
Index of Refraction: 1.678
Molar Refractivity: 137.1±0.4 cm3
#H bond acceptors: 13
#H bond donors: 5
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: -0.90
ACD/LogD (pH 5.5): -0.90
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 7.70
ACD/LogD (pH 7.4): -0.91
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 7.57
Polar Surface Area: 183 Å2
Polarizability: 54.4±0.5 10-24cm3
Surface Tension: 84.2±5.0 dyne/cm
Molar Volume: 363.8±5.0 cm3

Click to predict properties on the Chemicalize site


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