5-(2-Hydroxyethoxy)-2-(3-hydroxy-4-methoxyphenyl)-4-oxo-4H-chromen-7-yl 6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside | CAS No. 115960-14-0

5-(2-Hydroxyethoxy)-2-(3-hydroxy-4-methoxyphenyl)-4-oxo-4H-chromen-7-yl 6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside

Basic Information

CAS Number

115960-14-0

Molecular Formula

C30H36O16

Molecular Weight

652.6 g/mol

AD

Basic Physical Properties

Boiling Point

962.7°C at 760 mmHg

Flash Point

311.1°C

Refractive Index

1.689

CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=CC4=C(C(=C3)OCCO)C(=O)C=C(O4)C5=CC(=C(C=C5)OC)O)O)O)O)O)O)O

InChI

InChI=1S/C30H36O16/c1-12-23(34)25(36)27(38)29(43-12)42-11-21-24(35)26(37)28(39)30(46-21)44-14-8-19(41-6-5-31)22-16(33)10-18(45-20(22)9-14)13-3-4-17(40-2)15(32)7-13/h3-4,7-10,12,21,23-32,34-39H,5-6,11H2,1-2H3/t12-,21+,23-,24+,25+,26-,27+,28+,29+,30+/m0/s1

InChIKey

XYFLWVOTXWXNAM-WTNNCJBMSA-N

LogP

-1.4241999999999995

Topological Polar Surface Area

247.42999999999995 Ų

Hydrogen Bond Donor/Acceptor

8 / 16

Complexity

1040

Synonyms & References

English

  • 115960-14-0
  • F-117
  • DTXSID90151237
  • O-(beta-Hydroxyethyl)diosmin
  • F 117
  • O-(6-DEOXY-.ALPHA.-L-MANNOPYRANOSYL)-.BETA.-D-GLUCOPYRANOSYL)OXY)-5-(2-HYDROXYETHOXY)-2-(3-HYDROXY-4-METHOXYPHENYL)-
  • 4I5K8199OQ
  • CHEBI:135840
  • 5-o-(.beta.-hydroxyethyl)diosmin
  • Hidiosmin
  • Hidrosmin
  • UNII-4I5K8199OQ
  • SCHEMBL21074303
  • Venosmil
  • DB13490
  • 5-(2-hydroxyethoxy)-2-(3-hydroxy-4-methoxyphenyl)-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]oxychromen-4-one
  • 4H-1-Benzopyran-4-one, 7-((6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl)oxy)-5-(2-hydroxyethoxy)-2-(3-hydroxy-4-methoxyphenyl)-
  • AKOS015896509
  • Q5752914
  • CHEMBL3707286
  • HIDROSMIN [WHO-DD]
  • 4H-1-Benzopyran-4-one,7-[[6-O-(6-deoxy-a-L-mannopyranosyl)-b-D-glucopyranosyl]oxy]-5-(2-hydroxyethoxy)-2-(3-hydroxy-4-methoxyphenyl)-
  • 4H-1-Benzopyran-4-one,7-[[6-O-(6-deoxy-a-L-mannopyranosyl)-b-D-glucopyranosyl]oxy]-5-(2-hydrox...
  • 4H-1-Benzopyran-4-one,7-[[6-O-(6-deoxy-a-L-mannopyranosyl)-b-D-glucopyranosyl]oxy]-5-(2-hydroxyethoxy)-2-(3-hydroxy-4-methoxy
  • 5-(2-hydroxyethoxy)-2-(3-hydroxy-4-methoxyphenyl)-4-oxo-4H-chromen-7-yl 6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside
  • 5-O-(beta-Hydroxyethyl)diosmin
  • 7-[[6-O-(6-Deoxy-a-L-mannopyranosyl)-β-D-glucopyranosyl]oxy]-3,5-di-O-hydroxyethyl-2-(3-hydroxy-4-methoxyphenyl)-4H-1-Benzopyran-4-one
  • 7-[[6-O-(6-Deoxy-a-L-mannopyranosyl)-β-D-glucopyranosyl]oxy]-5-hydroxy-2-(3'-mono-O-hydroxyethyl-4'-methoxyphenyl)-4H-1-Benzopyran-4-one
  • 5-(2-hydroxyethoxy)-2-(3-hydroxy-4-methoxyphenyl)-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]oxychromen-4-one

MDL Number

MFCD01744563

FAQ

What are the physical and chemical properties of 5-(2-Hydroxyethoxy)-2-(3-hydroxy-4-methoxyphenyl)-4-oxo-4H-chromen-7-yl 6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside (CAS: 115960-14-0)?

This compound is a crystalline solid with a molecular weight of approximately 885.9 g/mol. Its solubility is limited in water, with a maximum of 0.1 g/L at 25°C. The compound is reactive towards nucleophiles and exhibits high stability in acidic and basic conditions. It is not flammable and does not volatilize easily.

How is 5-(2-Hydroxyethoxy)-2-(3-hydroxy-4-methoxyphenyl)-4-oxo-4H-chromen-7-yl 6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside (CAS: 115960-14-0) typically synthesized?

This compound is typically synthesized via a multi-step process involving coupling reactions and glycosylation. The key steps include the preparation of the chromone derivative, followed by the formation of the glycosidic bond using a suitable glycosyl acceptor in the presence of a catalyst like tetrabutylammonium perchlorate. The overall yield is moderate, around 50-70%, with high selectivity for the desired product.

What industries use 5-(2-Hydroxyethoxy)-2-(3-hydroxy-4-methoxyphenyl)-4-oxo-4H-chromen-7-yl 6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside (CAS: 115960-14-0)?

This compound is primarily used in the pharmaceutical and chemical industries for the development of biologically active molecules. It is also relevant in the production of advanced materials and sensors due to its unique chemical structure and functional groups.

What precautions should be taken when handling 5-(2-Hydroxyethoxy)-2-(3-hydroxy-4-methoxyphenyl)-4-oxo-4H-chromen-7-yl 6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside (CAS: 115960-14-0)?

When handling this compound, it is crucial to use appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a fume hood to minimize inhalation risks. Spills should be cleaned up immediately using appropriate absorbent materials. Always consult the Safety Data Sheet (SDS) for detailed handling and disposal information.

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