ChemSpider 2D Image | Acanthoside B | C28H36O13

Acanthoside B

  • Molecular FormulaC28H36O13
  • Average mass580.578 Da
  • Monoisotopic mass580.215576 Da
  • ChemSpider ID391325

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(+)-syringaresinol β-D-glucoside
4-[(1S,3aR,4S,6aR)-4-(4-Hydroxy-3,5-dimethoxyphenyl)tetrahydro-1H,3H-furo[3,4-c]furan-1-yl]-2,6-dimethoxyphenyl β-D-glucopyranoside [ACD/IUPAC Name]
4-[(1S,3aR,4S,6aR)-4-(4-Hydroxy-3,5-dimethoxyphenyl)tetrahydro-1H,3H-furo[3,4-c]furan-1-yl]-2,6-dimethoxyphenyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
7374-79-0 [RN]
Acanthoside B
β-D-Glucopyranoside de 4-[(1S,3aR,4S,6aR)-4-(4-hydroxy-3,5-diméthoxyphényl)tétrahydro-1H,3H-furo[3,4-c]furan-1-yl]-2,6-diméthoxyphényle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, 2,6-dimethoxy-4-[(1S,3aR,4S,6aR)-tetrahydro-4-(4-hydroxy-3,5-dimethoxyphenyl)-1H,3H-furo[3,4-c]furan-1-yl]phenyl [ACD/Index Name]
(+)-Syringaresinol O-β-D-glucoside
(7α,7'α,8α,8'α)-4'-(β-D-glucopyranosyloxy)-3,3',5,5'-tetramethoxy-7,9':7',9-diepoxylignan-4-ol
[7374-79-0] [RN]
More...

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

C10890 [DBID]
CHEBI:28603 [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 778.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 118.8±3.0 kJ/mol
Flash Point: 424.6±32.9 °C
Index of Refraction: 1.601
Molar Refractivity: 142.1±0.3 cm3
#H bond acceptors: 13
#H bond donors: 5
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: -1.60
ACD/LogD (pH 5.5): -0.64
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 10.67
ACD/LogD (pH 7.4): -0.64
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 10.64
Polar Surface Area: 175 Å2
Polarizability: 56.3±0.5 10-24cm3
Surface Tension: 56.3±3.0 dyne/cm
Molar Volume: 414.9±3.0 cm3

Click to predict properties on the Chemicalize site


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