ChemSpider 2D Image | Methyl hesperidin | C29H36O15

Methyl hesperidin

  • Molecular FormulaC29H36O15
  • Average mass624.587 Da
  • Monoisotopic mass624.205444 Da
  • ChemSpider ID4447489
  • defined stereocentres - 11 of 11 defined stereocentres

More details:

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

(2S)-2-(3,4-Dimethoxyphenyl)-5-hydroxy-4-oxo-3,4-dihydro-2H-chromen-7-yl 6-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranoside [ACD/IUPAC Name]
(2S)-2-(3,4-Dimethoxyphenyl)-5-hydroxy-4-oxo-3,4-dihydro-2H-chromen-7-yl-6-O-(6-desoxy-α-L-mannopyranosyl)-β-D-glucopyranosid [German] [ACD/IUPAC Name]
(2S)-2-[3,4-bis(methyloxy)phenyl]-5-hydroxy-4-oxo-3,4-dihydro-2H-chromen-7-yl 6-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranoside
11013-97-1 [RN]
4H-1-Benzopyran-4-one, 7-[[6-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy]-2-(3,4-dimethoxyphenyl)-2,3-dihydro-5-hydroxy-, (2S)- [ACD/Index Name]
6-O-(6-Désoxy-α-L-mannopyranosyl)-β-D-glucopyranoside de (2S)-2-(3,4-diméthoxyphényl)-5-hydroxy-4-oxo-3,4-dihydro-2H-chromén-7-yle [French] [ACD/IUPAC Name]
Methyl hesperidin
(2S)-2-(3,4-dimethoxyphenyl)-5-hydroxy-4-oxo-3,4-dihydro-2H-1-benzopyran-7-yl 6-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranoside

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

K324U7386B [DBID]
UNII:K324U7386B [DBID]
UNII-K324U7386B [DBID]
  • Miscellaneous
    • Chemical Class:

      A flavanone glycoside that is hesperidin in which the hydroxy group at position 3' has been replaced by a methoxy group. ChEBI CHEBI:81056

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.6±0.1 g/cm3
Boiling Point: 900.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 137.1±3.0 kJ/mol
Flash Point: 293.0±27.8 °C
Index of Refraction: 1.668
Molar Refractivity: 146.8±0.4 cm3
#H bond acceptors: 15
#H bond donors: 7
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: 2.55
ACD/LogD (pH 5.5): 0.56
ACD/BCF (pH 5.5): 1.55
ACD/KOC (pH 5.5): 47.39
ACD/LogD (pH 7.4): 0.11
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 17.05
Polar Surface Area: 223 Å2
Polarizability: 58.2±0.5 10-24cm3
Surface Tension: 87.6±5.0 dyne/cm
Molar Volume: 394.1±5.0 cm3

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