ChemSpider 2D Image | MFCD00010438 | C29H36O15

MFCD00010438

  • Molecular FormulaC29H36O15
  • Average mass624.587 Da
  • Monoisotopic mass624.205444 Da
  • ChemSpider ID4941177
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 10 of 10 defined stereocentres


More details:






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

(E)-1-[4-[[6-O-(6-Deoxy-α-L-mannopyranosyl)-??-D-glucopyranosyl]oxy]-2-hydroxy-6-methoxyphenyl]-3-(3-hydroxy-4-methoxyphenyl)-2-propen-1-one
2-Propen-1-one, 1-[4-[[6-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy]-2-hydroxy-6-methoxyphenyl]-3-(3-hydroxy-4-methoxyphenyl)-, (2E)- [ACD/Index Name]
3-Hydroxy-4-[(2E)-3-(3-hydroxy-4-methoxyphenyl)-2-propenoyl]-5-methoxyphenyl 6-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranoside [ACD/IUPAC Name]
3-Hydroxy-4-[(2E)-3-(3-hydroxy-4-methoxyphenyl)-2-propenoyl]-5-methoxyphenyl-6-O-(6-desoxy-α-L-mannopyranosyl)-β-D-glucopyranosid [German] [ACD/IUPAC Name]
6-O-(6-Désoxy-α-L-mannopyranosyl)-β-D-glucopyranoside de 3-hydroxy-4-[(2E)-3-(3-hydroxy-4-méthoxyphényl)-2-propenoyl]-5-méthoxyphényle [French] [ACD/IUPAC Name]
Hesperidin methyl chalcone
Hesperidin methylchalcone
MFCD00010438
(2E)-3-(3-HYDROXY-4-METHOXYPHENYL)-1-(2-HYDROXY-6-METHOXY-4-{[(2S,3R,4S,5S,6R)-3,4,5-TRIHYDROXY-6-({[(2R,3R,4R,5R,6S)-3,4,5-TRIHYDROXY-6-METHYLOXAN-2-YL]OXY}METHYL)OXAN-2-YL]OXY}PHENYL)PROP-2-EN-1-ONE
(E)-1-(4-((6-O-(6-Deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl)oxy)-2-hydroxy-6-methoxyphenyl)-3-(3-hydroxy-4-methoxyphenyl)-2-propen-1-one
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

4T2GVA922X [DBID]
H5006_ALDRICH [DBID]
UNII:4T2GVA922X [DBID]
UNII-4T2GVA922X [DBID]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 953.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 145.3±3.0 kJ/mol
Flash Point: 309.5±27.8 °C
Index of Refraction: 1.672
Molar Refractivity: 148.6±0.4 cm3
#H bond acceptors: 15
#H bond donors: 8
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: 1.86
ACD/LogD (pH 5.5): 0.23
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 30.90
ACD/LogD (pH 7.4): -0.53
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.37
Polar Surface Area: 234 Å2
Polarizability: 58.9±0.5 10-24cm3
Surface Tension: 89.7±5.0 dyne/cm
Molar Volume: 396.9±5.0 cm3

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