Catechin
Properties
- Molecular formula
- C15H14O6
- Molar mass
- 290.27 g/mol
- Exact mass
- 290.0790 Da
- Melting point
- 214 °C
- Boiling point
- 629.2 °C
- logP
- 1.55Crippen estimate
- Polar surface area
- 110.4 Ų
- H-bond donors / acceptors
- 5 / 6
- Rotatable bonds
- 1
Identifiers
CAS number
154-23-4SMILES
Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C2InChIKey
PFTAWBLQPZVEMU-DZGCQCFKSA-NInChI
InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15+/m0/s1Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
37 names · show all
- 2H-1-Benzopyran-3,5,7-triol, 2-(3,4-dihydroxyphenyl)-3,4-dihydro-, (2R,3S)-
- Catechol
- 2H-1-Benzopyran-3,5,7-triol, 2-(3,4-dihydroxyphenyl)-3,4-dihydro-, (2R-trans)-
- (2R,3S)-2-(3,4-Dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol
- d-Catechin
- (+)-Catechol
- (+)-Catechin
- (+)-(2R:3S)-5,7,3′,4′-Tetrahydroxyflavan-3-ol
- Catechinic acid
- Catechuic acid
- Catechol (flavan)
- D-Catechol
- D-(+)-Catechin
- Catechin (flavan)
- trans-(+)-3,3′,4′,5,7-Flavanpentol
- (+)-3′,4′,5,7-Tetrahydroxy-2,3-trans-flavan-3-ol
- 3-Cyanidanol, (+)-
- Catergen
- (+)-Cyanidan-3-ol
- (+)-Cyanidanol-3
- Cianidanol
- Cyanidanol
- (+)-Cianidanol
- (+)-Cyanidanol
- Biocatechin
- Sunkatol no. 1
- (2R,3S)-(+)-Catechin
- Dexcyanidanol
- Cyanidol
- NSC 2819
- Teafuran 30A
- Teafuran 30E
- HB-MC-TS 35
- P 70A
- (+)-(2R,3S)-2-(3,4-Dihydroxyphenyl)-3,4-dihydro-1(2H)-benzopyran-3,5,7-triol
- Sunphenon 90
- PP-S4-1
Work with Catechin
Predict the NMR spectrum1H and 13C shifts with multiplicities
Make a solutionWhat to weigh for any molarity and volume
Check drug-likenessLipinski, Veber and lead-likeness
Boiling point under vacuumAt any pressure, from its normal boiling point
Isotope patternExact mass and the mass spectrum pattern