ChemSpider 2D Image | Methyl 1-C-[(1S,3R)-7-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-6-methoxy-1,2,3,4-tetrahydro-2-naphthalenyl]-beta-D-glucopyranoside | C26H34O11

Methyl 1-C-[(1S,3R)-7-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-6-methoxy-1,2,3,4-tetrahydro-2-naphthalenyl]-β-D-glucopyranoside

  • Molecular FormulaC26H34O11
  • Average mass522.542 Da
  • Monoisotopic mass522.210083 Da
  • ChemSpider ID156897

  • defined stereocentres - 7 of 8 defined stereocentres

More details:

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

1-C-[(1S,3R)-7-Hydroxy-1-(4-hydroxy-3-méthoxyphényl)-3-(hydroxyméthyl)-6-méthoxy-1,2,3,4-tétrahydro-2-naphtalényl]-β-D-glucopyranoside de méthyle [French] [ACD/IUPAC Name]
Methyl 1-C-[(1S,3R)-7-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-6-methoxy-1,2,3,4-tetrahydro-2-naphthalenyl]-β-D-glucopyranoside [ACD/IUPAC Name]
Methyl-1-C-[(1S,3R)-7-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-6-methoxy-1,2,3,4-tetrahydro-2-naphthalinyl]-β-D-glucopyranosid [German] [ACD/IUPAC Name]
β-D-Glucopyranoside, methyl 1-C-[(1S,3R)-1,2,3,4-tetrahydro-7-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-6-methoxy-2-naphthalenyl]- [ACD/Index Name]
(2R,3R,4S,5S,6R)-2-[(1S,3R)-7-Hydroxy-1-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]-6-(hydroxymethyl)-2-methoxyoxane-3,4,5-triol
124612-88-0 [RN]
63358-12-3 [RN]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 757.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 115.8±3.0 kJ/mol
Flash Point: 411.8±32.9 °C
Index of Refraction: 1.668
Molar Refractivity: 129.7±0.4 cm3
#H bond acceptors: 11
#H bond donors: 7
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: 2.20
ACD/LogD (pH 5.5): 1.17
ACD/BCF (pH 5.5): 4.53
ACD/KOC (pH 5.5): 102.64
ACD/LogD (pH 7.4): 1.16
ACD/BCF (pH 7.4): 4.52
ACD/KOC (pH 7.4): 102.29
Polar Surface Area: 179 Å2
Polarizability: 51.4±0.5 10-24cm3
Surface Tension: 83.7±5.0 dyne/cm
Molar Volume: 348.2±5.0 cm3

Click to predict properties on the Chemicalize site


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