trans-(3R,5R)-1,3,4,5-tetrahydroxycyclohexane-1-carboxylic acid;hydrochloride

C7H13ClO6 — CID 142691369

IUPACtrans-(3R,5R)-1,3,4,5-tetrahydroxycyclohexane-1-carboxylic acid;hydrochloride
SMILESCl.O=C(O)C1(O)C[C@@H](O)C(O)[C@H](O)C1
InChIInChI=1S/C7H12O6.ClH/c8-3-1-7(13,6(11)12)2-4(9)5(3)10;/h3-5,8-10,13H,1-2H2,(H,11,12);1H/t3-,4-,5?,7?;/m1./s1
InChIKeyZXEBGEQCEOEPMW-VKBSETNNSA-N
MW228.63 g/mol
LogP-1.90
Rot. Bonds1

About trans-(3R,5R)-1,3,4,5-tetrahydroxycyclohexane-1-carboxylic acid;hydrochloride

trans-(3R,5R)-1,3,4,5-tetrahydroxycyclohexane-1-carboxylic acid;hydrochloride (PubChem CID 142691369) has the molecular formula C7H13ClO6 and a molecular weight of 228.63 g/mol. Its IUPAC name is trans-(3R,5R)-1,3,4,5-tetrahydroxycyclohexane-1-carboxylic acid;hydrochloride.

Molecular Properties

Compound Nametrans-(3R,5R)-1,3,4,5-tetrahydroxycyclohexane-1-carboxylic acid;hydrochloride
PubChem CID142691369
Molecular FormulaC7H13ClO6
Molecular Weight228.63 g/mol
Exact Mass228.04
IUPAC Nametrans-(3R,5R)-1,3,4,5-tetrahydroxycyclohexane-1-carboxylic acid;hydrochloride
SMILESCl.O=C(O)C1(O)C[C@@H](O)C(O)[C@H](O)C1
InChIInChI=1S/C7H12O6.ClH/c8-3-1-7(13,6(11)12)2-4(9)5(3)10;/h3-5,8-10,13H,1-2H2,(H,11,12);1H/t3-,4-,5?,7?;/m1./s1
InChIKeyZXEBGEQCEOEPMW-VKBSETNNSA-N
XLogP-1.90
TPSA118.22 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.63
LogP ≤ 5-1.90
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Analyze trans-(3R,5R)-1,3,4,5-tetrahydroxycyclohexane-1-carboxylic acid;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of trans-(3R,5R)-1,3,4,5-tetrahydroxycyclohexane-1-carboxylic acid;hydrochloride?
The IUPAC name of trans-(3R,5R)-1,3,4,5-tetrahydroxycyclohexane-1-carboxylic acid;hydrochloride (CID 142691369) is trans-(3R,5R)-1,3,4,5-tetrahydroxycyclohexane-1-carboxylic acid;hydrochloride.
What is the SMILES notation for trans-(3R,5R)-1,3,4,5-tetrahydroxycyclohexane-1-carboxylic acid;hydrochloride?
The canonical SMILES for trans-(3R,5R)-1,3,4,5-tetrahydroxycyclohexane-1-carboxylic acid;hydrochloride is Cl.O=C(O)C1(O)C[C@@H](O)C(O)[C@H](O)C1.
What is the InChIKey of trans-(3R,5R)-1,3,4,5-tetrahydroxycyclohexane-1-carboxylic acid;hydrochloride?
The InChIKey is ZXEBGEQCEOEPMW-VKBSETNNSA-N. The full InChI is InChI=1S/C7H12O6.ClH/c8-3-1-7(13,6(11)12)2-4(9)5(3)10;/h3-5,8-10,13H,1-2H2,(H,11,12);1H/t3-,4-,5?,7?;/m1./s1.
What are the key properties of trans-(3R,5R)-1,3,4,5-tetrahydroxycyclohexane-1-carboxylic acid;hydrochloride?
trans-(3R,5R)-1,3,4,5-tetrahydroxycyclohexane-1-carboxylic acid;hydrochloride has a molecular weight of 228.63 g/mol, XLogP of -1.90, 1 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(3R,5R)-1,3,4,5-tetrahydroxycyclohexane-1-carboxylic acid;hydrochloride is sourced from PubChem (CID 142691369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).