Quinate (C7H12O6)

quinate presents a C7 framework, a carboxylic acid (formula C7H12O6, CAS 7729-33-1). ChemicalTool Reaction can propose ranked disconnections for quinate from the SMILES O=C(O)C1(O)C[C@@H](O)C(O)[C@H](O)C1.

Target: Quinate
CAS: 7729-33-1
Formula: C7H12O6
Approx. MW: 192.17
SMILES: O=C(O)C1(O)C[C@@H](O)C(O)[C@H](O)C1
PubChem CID: 6508
Approx. carbons: C7

Quinate structure

Properties

IUPAC name: trans-(3R,5R)-1,3,4,5-tetrahydroxycyclohexane-1-carboxylic acid
Common names: quinate; (1S,3R,4S,5R)-1,3,4,5-tetrahydroxycyclohexane-1-carboxylic acid; RefChem:871925; CHEBI:26490; 7729-33-1; quinic acid; D-(-)-Quinic acid; 77-95-2; (-)-quinic acid; Chinic acid
Molecular weight: 192.17
Exact mass: 192.06
InChIKey: AAWZDTNXLSGCEK-LNVDRNJUSA-N

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Quinate 1H / 13C NMR spectrum →

FAQ

What is the chemical formula of Quinate?

Quinate has molecular formula C7H12O6. Molecular weight about 192.17 g·mol⁻¹.

What is the CAS number of Quinate?

The CAS Registry Number for Quinate is 7729-33-1.

Run AI retrosynthesis for Quinate Target catalog AI tools overview

Start from this SMILES and explore AI retrosynthesis routes for C7H12O6.

Related targets

Similar compounds

D-(-)-Chinic Acid (S)-2-Amino-6-guanidinohexanoic acid 1-Aminocyclohexanecarboxylic acid 1-Glycylproline 2-Amino-6-ureidohexanoic acid 2-Isopropylmalic acid

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References & tools

ChemicalTool Reaction — AI retrosynthesis with optional library evidence.
PubChem — compound identifiers and structure depictions (NIH/NCBI).
Related: AiZynthFinder / synthesis planning literature for computer-aided retrosynthesis.