ChemSpider 2D Image | 5,7-Dimethoxy-3,10-dimethyl-1-oxo-1H-benzo[g]isochromen-9-yl 6-O-L-arabinopyranosyl-D-glucopyranoside | C28H34O14

5,7-Dimethoxy-3,10-dimethyl-1-oxo-1H-benzo[g]isochromen-9-yl 6-O-L-arabinopyranosyl-D-glucopyranoside

  • Molecular FormulaC28H34O14
  • Average mass594.561 Da
  • Monoisotopic mass594.194885 Da
  • ChemSpider ID429145

  • defined stereocentres - 7 of 9 defined stereocentres

More details:

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

1H-Naphtho[2,3-c]pyran-1-one, 9-[(6-O-L-arabinopyranosyl-D-glucopyranosyl)oxy]-5,7-dimethoxy-3,10-dimethyl- [ACD/Index Name]
5,7-Dimethoxy-3,10-dimethyl-1-oxo-1H-benzo[g]isochromen-9-yl 6-O-L-arabinopyranosyl-D-glucopyranoside [ACD/IUPAC Name]
5,7-Dimethoxy-3,10-dimethyl-1-oxo-1H-benzo[g]isochromen-9-yl-6-O-L-arabinopyranosyl-D-glucopyranosid [German] [ACD/IUPAC Name]
6-O-L-Arabinopyranosyl-D-glucopyranoside de 5,7-diméthoxy-3,10-diméthyl-1-oxo-1H-benzo[g]isochromén-9-yle [French] [ACD/IUPAC Name]
5,7-Dimethoxy-3,10-dimethyl-9-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-((3R,4S,5S)-3,4,5-trihydroxy-tetrahydro-pyran-2-yloxymethyl)-tetrahydro-pyran-2-yloxy]-naphtho[2,3-c]pyran-1-one
Paepalantine-9-O-α-L-arabinopyranosyl-(1->6)-β-D-glucopyranoside

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

AIDS113425 [DBID]
AIDS-113425 [DBID]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 890.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 135.6±3.0 kJ/mol
Flash Point: 293.3±27.8 °C
Index of Refraction: 1.675
Molar Refractivity: 142.5±0.4 cm3
#H bond acceptors: 14
#H bond donors: 6
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: 2.32
ACD/LogD (pH 5.5): 1.20
ACD/BCF (pH 5.5): 4.81
ACD/KOC (pH 5.5): 107.18
ACD/LogD (pH 7.4): 1.20
ACD/BCF (pH 7.4): 4.81
ACD/KOC (pH 7.4): 107.18
Polar Surface Area: 203 Å2
Polarizability: 56.5±0.5 10-24cm3
Surface Tension: 83.8±5.0 dyne/cm
Molar Volume: 379.3±5.0 cm3

Click to predict properties on the Chemicalize site


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