(1S,3R,4s)-1,3,4,5-Tetrahydroxycyclohexanecarboxylic acid | CAS No. 77-95-2

(1S,3R,4s)-1,3,4,5-Tetrahydroxycyclohexanecarboxylic acid

Basic Information

CAS Number

77-95-2

Molecular Formula

C7H12O6

Molecular Weight

192.17 g/mol

AD

Basic Physical Properties

Physical State

Powder

Melting Point

166-168 ºC

Boiling Point

248.13°C (rough estimate)

Density

1.64 g/cm3 (20℃)

Water Solubility

400 g/l (20 ºC)

Flash Point

233.1 °C

Solubility

290g/l (experimental)

Refractive Index

-43.5 ° (C=10, H2O)

Specific Rotation

-44 º (c=11.2, H2O)

O=C([C@@]1(O)C[C@@H](O)[C@H](O)[C@H](O)C1)O

InChI

InChI=1S/C7H12O6/c8-3-1-7(13,6(11)12)2-4(9)5(3)10/h3-5,8-10,13H,1-2H2,(H,11,12)/t3-,4?,5-,7+/m1/s1

InChIKey

AAWZDTNXLSGCEK-RKGSPJAZSA-N

LogP

-2.3214000000000006

Topological Polar Surface Area

118.22000000000001 Ų

Hydrogen Bond Donor/Acceptor

5 / 6

Complexity

203

Safety Information

View Safety Information

GHS Hazard Pictograms

H314H314

Hazard Statement

H314 Causes severe skin burns and eye damage
Skin corrosion/irritation

Storage Conditions

-20℃

Synonyms & References

English

  • D(-)-Quinic acid
  • 1,3,4,5-Tetrahydroxycyclohexanecarboxylic acid
  • Quinicacid
  • (1R,3R,4R,5R)-()-Quinic acid
  • D-(-)-Quinic acid
  • (−) Quinic acid
  • Cyclohexanecarboxylicacid, 1,3,4,5-tetrahydroxy-, (1a,3R,4a,5R)-
  • D-Quinicacid
  • QUINIC ACID(P)
  • QUINIC ACID(RG)
  • D-(−)-Quinic acid
  • (-)-quinic acid
  • (1R,3R,4R,5R)-(-)-quinic acid
  • Chinasaure
  • CHINIC ACID
  • Kinicacid
  • l-Chinic acid
  • l-Kinic acid
  • 1,3,4,5-Tetrahydroxy-(1α,3R,4α,5R)-cyclohexanecarboxylic acid
  • D-(-)-Chinic Acid
  • D-(-)-Kinic Acid
  • quinic acid
  • quinate
  • Kinic acid
  • D-QUINIC ACID
  • L-Quinic acid
  • L-Quinate
  • NSC1115
  • (3r,5r)-1,3,4,5-tetrahydroxycyclohexanecarboxylic acid
  • SpecPlus_000419
  • NSC59258

MDL Number

MFCD00003864

Customs Code

29181980

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