(-)-Gallocatechin
Properties
- Molecular formula
- C15H14O7
- Molar mass
- 306.27 g/mol
- Exact mass
- 306.0740 Da
- logP
- 1.25Crippen estimate
- Polar surface area
- 130.6 Ų
- H-bond donors / acceptors
- 6 / 7
- Rotatable bonds
- 1
- Stereocentres
- S, Rin SMILES atom order
Hazards
Warning
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation100% of notifiers
Aggregated from 42 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
3371-27-5SMILES
Oc1cc(O)c2c(c1)O[C@@H](c1cc(O)c(O)c(O)c1)[C@H](O)C2InChIKey
XMOCLSLCDHWDHP-DOMZBBRYSA-NInChI
InChI=1S/C15H14O7/c16-7-3-9(17)8-5-12(20)15(22-13(8)4-7)6-1-10(18)14(21)11(19)2-6/h1-4,12,15-21H,5H2/t12-,15+/m1/s1Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
6 names
- 2H-1-Benzopyran-3,5,7-triol, 3,4-dihydro-2-(3,4,5-trihydroxyphenyl)-, (2S,3R)-
- Gallocatechol, (-)-
- 2H-1-Benzopyran-3,5,7-triol, 3,4-dihydro-2-(3,4,5-trihydroxyphenyl)-, (2S-trans)-
- (2S,3R)-3,4-Dihydro-2-(3,4,5-trihydroxyphenyl)-2H-1-benzopyran-3,5,7-triol
- (-)-Gallocatechol
- l-Gallocatechin
Work with (-)-Gallocatechin
Stereoisomers, salts and isotopologues
The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.
Similar compounds
Catechin154-23-474 % similar
(-)-Catechol18829-70-474 % similar
(+)-Epicatechin35323-91-274 % similar
Epicatechin490-46-074 % similar
Catechin7295-85-474 % similar
(+)-Catechin hydrate225937-10-070 % similar
(+)-Catechin hydrate88191-48-470 % similar
Theaflavin4670-05-769 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds