(1R,3R,4S,5R)-3,4-Bis{[(2E)-3-(3,4-dihydroxyphenyl)-2-propenoyl]oxy}-1,5-dihydroxycyclohexanecarboxylic acid | CAS No. 32451-88-0

(1R,3R,4S,5R)-3,4-Bis{[(2E)-3-(3,4-dihydroxyphenyl)-2-propenoyl]oxy}-1,5-dihydroxycyclohexanecarboxylic acid

Basic Information

CAS Number

32451-88-0

Molecular Formula

C25H24O12

Molecular Weight

516.46 g/mol

AD

Basic Physical Properties

Physical State

White powder

c1cc(c(cc1/C=C/C(=O)O[C@@H]2C[C@](C[C@H]([C@@H]2OC(=O)/C=C/c3ccc(c(c3)O)O)O)(C(=O)O)O)O)O

InChI

InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(31)36-20-12-25(35,24(33)34)11-19(30)23(20)37-22(32)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-30,35H,11-12H2,(H,33,34)/b7-3+,8-4+/t19-,20-,23+,25-/m1/s1

InChIKey

UFCLZKMFXSILNL-RVXRWRFUSA-N

LogP

1.0295999999999994

Topological Polar Surface Area

211.27999999999997 Ų

Hydrogen Bond Donor/Acceptor

7 / 12

Synonyms & References

English

  • ISOCHLOROGENIC ACID C(SH)
  • (1S,3R,4S,5R)-4-((E)-4-(3,4-Dihydroxyphenyl)-2-oxobut-3-en-1-yl)-3-(((E)-3-(3, 4-dihydroxyphenyl)
  • (1S,3R,4S,5R)-4-((E)-4-(3,4-Dihydroxyphenyl)-2-oxobut-3-en-1-yl)-3-(((E)-3-(3,4-dihydroxyphenyl)acryloyl)oxy)-5-hydroxy-1-methylcyclohexanecarboxylic acid
  • 4,5-Dicaffeoylquinic acid
  • Isochlorogenic acid C,4,5-Dicaffeoylquinic acid
  • Isochlorogenic acid C, 98%, from Lonicera hypoglauca
  • ISOCHLOROGENIC ACID C(RG)
  • (1S,3R,4S,5R)-4-[4-(3,4-dihydroxyphenyl)-2-oxobut-3-enyl]-3-[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-5-hydroxy-1-methylcyclohexane-1-carboxylicaci
  • Isochlorogenic acid C
  • (1S,3R,4S,5R)-4-((E)-4-(3,4-Dihydroxyphenyl)-2-oxobut-3-en-1-yl)-3-(((E)-3-(3, 4-dihydroxyphenyl)acryloyl)oxy)-5-hydrox...
  • (1S,3R,4S,5R)-4-[4-(3,4-dihydroxyphenyl)-2-oxobut-3-enyl]-3-[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-5-hydroxy-1-methylcyclohexane-1-carboxylic acid
  • N1748

MDL Number

MFCD10566623

Customs Code

29163990

FAQ

What is (1R,3R,4S,5R)-3,4-Bis{[(2E)-3-(3,4-dihydroxyphenyl)-2-propenoyl]oxy}-1,5-dihydroxycyclohexanecarboxylic acid (CAS: 32451-88-0)?

This compound is a complex organic acid with a unique structure. It contains multiple chiral centers and carboxylic acid groups. The compound is characterized by its ability to form cyclic structures with hydroxyl and carboxylic functionalities.

What are the main uses of (1R,3R,4S,5R)-3,4-Bis{[(2E)-3-(3,4-dihydroxyphenyl)-2-propenoyl]oxy}-1,5-dihydroxycyclohexanecarboxylic acid (CAS: 32451-88-0)?

This compound is primarily used in research and development for its unique chemical properties. It may also find applications in pharmaceuticals for specific drug formulations.

Is (1R,3R,4S,5R)-3,4-Bis{[(2E)-3-(3,4-dihydroxyphenyl)-2-propenoyl]oxy}-1,5-dihydroxycyclohexanecarboxylic acid (CAS: 32451-88-0) safe?

The safety of this compound is generally good, but it should be handled with caution. It is not considered highly toxic, but exposure should be minimized. Proper protective measures, such as gloves and safety goggles, should be used when handling.

How should (1R,3R,4S,5R)-3,4-Bis{[(2E)-3-(3,4-dihydroxyphenyl)-2-propenoyl]oxy}-1,5-dihydroxycyclohexanecarboxylic acid (CAS: 32451-88-0) be stored?

This compound should be stored in a cool, dry place away from direct sunlight. It is stable at room temperature but should be kept in a tightly sealed container to prevent degradation. Avoid contact with moisture and extreme temperatures.

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