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Methyl hesperidin

Molecular FormulaC₂₉H₃₆O₁₅
Average mass624.587 Da
Monoisotopic mass624.205444 Da
ChemSpider ID4447489

- 11 of 11 defined stereocentres

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Names and Synonyms
Database ID(s)

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

Methylhesperidin

(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

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

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(2S)-2-(3,4-dimethoxyphenyl)-5-hydroxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxy-2,3-dihydrochromen-4-one

(2S)-2-(3,4-dimethoxyphenyl)-5-hydroxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychroman-4-one

(2S)-2-(3,4-dimethoxyphenyl)-5-hydroxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-oxan-2-yl]oxymethyl]oxan-2-yl]oxy-chroman-4-one

(2S)-2-(3,4-dimethoxyphenyl)-5-hydroxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]oxy-chroman-4-one

(2S)-2-(3,4-dimethoxyphenyl)-5-hydroxy-7-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-2-oxanyl]oxymethyl]-2-oxanyl]oxy]-3,4-dihydro-2H-1-benzopyran-4-one

(2S)-2-(3,4-dimethoxyphenyl)-5-hydroxy-7-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-2-tetrahydropyranyl]oxymethyl]-2-tetrahydropyranyl]oxy]-4-chromanone

(2S)-2-(3,4-dimethoxyphenyl)-5-hydroxy-7-{[(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}-3,4-dihydro-2H-1-benzopyran-4-one

(2S)-2-(3,4-dimethoxyphenyl)-7-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R,5R,6S)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-5-oxidanyl-2,3-dihydrochromen-4-one

(S)-2-(3,4-dimethoxyphenyl)-5-hydroxy-7-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-((((2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)methyl)tetrahydro-2H-pyran-2-yl)oxy)chroman-4-one

28034-80-2 [RN]

MFCD01741310 [MDL number]

STOCK1N-56894

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

K324U7386B [DBID]

UNII:K324U7386B [DBID]

UNII-K324U7386B [DBID]

Experimental data
Predicted - ACD/Labs
Predicted - ChemAxon
Predicted - Mcule

Miscellaneous

Chemical Class:

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

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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Methyl hesperidin

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