ChemSpider 2D Image | myrciacitrin V | C30H30O13

myrciacitrin V

  • Molecular FormulaC30H30O13
  • Average mass598.551 Da
  • Monoisotopic mass598.168640 Da
  • ChemSpider ID8546785
  • defined stereocentres - 6 of 6 defined stereocentres


More details:






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

(2S)-2-(2,5-Dihydroxyphenyl)-5-hydroxy-6,8-dimethyl-4-oxo-3,4-dihydro-2H-chromen-7-yl 6-O-(4-hydroxybenzoyl)-β-D-glucopyranoside [ACD/IUPAC Name]
(2S)-2-(2,5-Dihydroxyphenyl)-5-hydroxy-6,8-dimethyl-4-oxo-3,4-dihydro-2H-chromen-7-yl-6-O-(4-hydroxybenzoyl)-β-D-glucopyranosid [German] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 2-(2,5-dihydroxyphenyl)-2,3-dihydro-5-hydroxy-7-[[6-O-(4-hydroxybenzoyl)-β-D-glucopyranosyl]oxy]-6,8-dimethyl-, (2S)- [ACD/Index Name]
6-O-(4-Hydroxybenzoyl)-β-D-glucopyranoside de (2S)-2-(2,5-dihydroxyphényl)-5-hydroxy-6,8-diméthyl-4-oxo-3,4-dihydro-2H-chromén-7-yle [French] [ACD/IUPAC Name]
myrciacitrin V
(2S)-6,8-dimethyl-5,7,2',5'-tetrahydroxyflavanone7-O-(6''-O-p-hydroxybenzoyl)-β-D-glucopyranoside
https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:66421
  • Miscellaneous
    • Chemical Class:

      A flavanone glycoside that is (2<stereo>S</stereo>)-flavanone substituted by hydroxy groups at positions 5, 2' and 5', methyl groups at positions 6 and 8 and a (6''-<element>O</element>-<ital>p</ital> -hydroxybenzoyl)-<stereo>beta</stereo>-<stereo>D</stereo>-glucopyranosyloxy residue at position 7. Isolated from the leaves of <ital>Myrcia multiflora</ital>, it exhibits inhibitory activity against a ldose reductase. ChEBI CHEBI:66421
      A flavanone glycoside that is (2S)-flavanone substituted by hydroxy groups at positions 5, 2' and 5', methyl groups at positions 6 and 8 and a (6''-O-p; -hydroxybenzoyl)-beta-D-glucopyranosyloxy resid ue at position 7. Isolated from the leaves of Myrcia multiflora, it exhibits inhibitory activity against a; ldose reductase. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:66421

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

Density: 1.5±0.1 g/cm3
Boiling Point: 889.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 135.4±3.0 kJ/mol
Flash Point: 292.0±27.8 °C
Index of Refraction: 1.688
Molar Refractivity: 147.3±0.3 cm3
#H bond acceptors: 13
#H bond donors: 7
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: 4.22
ACD/LogD (pH 5.5): 2.95
ACD/BCF (pH 5.5): 103.01
ACD/KOC (pH 5.5): 958.27
ACD/LogD (pH 7.4): 2.73
ACD/BCF (pH 7.4): 61.81
ACD/KOC (pH 7.4): 575.00
Polar Surface Area: 213 Å2
Polarizability: 58.4±0.5 10-24cm3
Surface Tension: 80.7±3.0 dyne/cm
Molar Volume: 386.1±3.0 cm3

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