(2S)-5-Hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-oxo-3,4-dihydro-2H-chromen-7-yl 6-deoxy-alpha-L-mannopyranosyl-(1->6)-[alpha-D-glucopyranosyl-(1->4)]-beta-D-glucopyranoside | CAS No. 161713-86-6

(2S)-5-Hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-oxo-3,4-dihydro-2H-chromen-7-yl 6-deoxy-alpha-L-mannopyranosyl-(1->6)-[alpha-D-glucopyranosyl-(1->4)]-beta-D-glucopyranoside

Basic Information

CAS Number

161713-86-6

Molecular Formula

C34H44O20

Molecular Weight

772.71 g/mol

EINECS

616-532-7

AD

Basic Physical Properties

Boiling Point

1086.1±65.0 °C(Predicted)

Density

1.70±0.1 g/cm3(Predicted)

C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)Oc3cc(c4c(c3)O[C@@H](CC4=O)c5ccc(c(c5)O)OC)O)O)O)O[C@@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O)O)O

InChI

InChI=1S/C34H44O20/c1-11-23(39)25(41)28(44)32(49-11)48-10-21-31(54-34-29(45)26(42)24(40)20(9-35)52-34)27(43)30(46)33(53-21)50-13-6-15(37)22-16(38)8-18(51-19(22)7-13)12-3-4-17(47-2)14(36)5-12/h3-7,11,18,20-21,23-37,39-46H,8-10H2,1-2H3/t11-,18-,20+,21+,23-,24+,25+,26-,27+,28+,29+,30+,31+,32+,33+,34+/m0/s1

InChIKey

IMMBLRJLSYJQIZ-RBWYFKFWSA-N

LogP

-3.332399999999996

pKa

7.13±0.40(Predicted)

Topological Polar Surface Area

313.44 Ų

Hydrogen Bond Donor/Acceptor

11 / 20

Synonyms & References

English

  • alpha-Glucosyl Hesperidin
  • (2S)-7-[(O-6-Deoxy-alpha-L-mannopyranosyl-(1-6)-O-[alpha-D-glucopyranosyl-(1-4)]-beta-D-glucopyranosyl)oxy]-2,3-dihydro-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one
  • Hesperidin G
  • Hesperidin S
  • (2S)-7-[3,4-dihydroxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-2-yl]oxy-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-2,3-dihydrochromen-4-one
  • α-Glucosyl Hesperidin &gt
  • 4H-1-Benzopyran-4-one, 7-[(O-6-deoxy-α-L-mannopyranosyl-(1→6)-O-[α-D-glucopyranosyl-(1→4)]-β-D-glucopyranosyl)oxy]-2,3-dihydro-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-, (2S)-
  • α-Glucosyl Hesperidin
  • 4G-α-D-glucopyranosyl hesperidin
  • (2S)-7-[(O-6-Deoxy-alpha-L-mannopyranosyl-(1→6)-O-[alpha-D-glucopyranosyl-(1→4)]-beta-D-glucopyranosyl)oxy]-2,3-dihydro-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one

MDL Number

MFCD22124222

EC Number

616-532-7

FAQ

What is (2S)-5-Hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-oxo-3,4-dihydro-2H-chromen-7-yl 6-deoxy-alpha-L-mannopyranosyl-(1->6)-[alpha-D-glucopyranosyl-(1->4)]-beta-D-glucopyranoside (CAS: 161713-86-6)?

This compound is a complex chromone derivative with a glucose-based sugar moiety. It exhibits unique structural features, making it a potential candidate for biological research and pharmaceutical applications.

What are the main uses of (2S)-5-Hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-oxo-3,4-dihydro-2H-chromen-7-yl 6-deoxy-alpha-L-mannopyranosyl-(1->6)-[alpha-D-glucopyranosyl-(1->4)]-beta-D-glucopyranoside (CAS: 161713-86-6)?

This compound is primarily used in pharmaceutical research for its potential as a bioactive agent. It may also have applications in natural product chemistry and medicinal chemistry.

Is (2S)-5-Hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-oxo-3,4-dihydro-2H-chromen-7-yl 6-deoxy-alpha-L-mannopyranosyl-(1->6)-[alpha-D-glucopyranosyl-(1->4)]-beta-D-glucopyranoside (CAS: 161713-86-6) safe?

This compound is generally considered safe under normal handling conditions. However, appropriate personal protective equipment should be worn, and it should be handled in a well-ventilated area to avoid inhalation or skin contact.

How should (2S)-5-Hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-oxo-3,4-dihydro-2H-chromen-7-yl 6-deoxy-alpha-L-mannopyranosyl-(1->6)-[alpha-D-glucopyranosyl-(1->4)]-beta-D-glucopyranoside (CAS: 161713-86-6) be stored?

Store this compound away from direct sunlight and moisture. It should be kept at a temperature below 25°C, and in a tightly sealed container to prevent degradation. Adequate ventilation is necessary to avoid the risk of inhaling its vapors.

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