4,5-dihydroxy-6-methoxyoxane-2-carboxylic acid

C7H12O6 — CID 118519228

IUPAC4,5-dihydroxy-6-methoxyoxane-2-carboxylic acid
SMILESCOC1OC(C(=O)O)CC(O)C1O
InChIInChI=1S/C7H12O6/c1-12-7-5(9)3(8)2-4(13-7)6(10)11/h3-5,7-9H,2H2,1H3,(H,10,11)
InChIKeyLHXSGHZXNAACGA-UHFFFAOYSA-N
MW192.17 g/mol
LogP-1.45
Rot. Bonds2

About 4,5-dihydroxy-6-methoxyoxane-2-carboxylic acid

4,5-dihydroxy-6-methoxyoxane-2-carboxylic acid (PubChem CID 118519228) has the molecular formula C7H12O6 and a molecular weight of 192.17 g/mol. Its IUPAC name is 4,5-dihydroxy-6-methoxyoxane-2-carboxylic acid.

Molecular Properties

Compound Name4,5-dihydroxy-6-methoxyoxane-2-carboxylic acid
PubChem CID118519228
Molecular FormulaC7H12O6
Molecular Weight192.17 g/mol
Exact Mass192.06
IUPAC Name4,5-dihydroxy-6-methoxyoxane-2-carboxylic acid
SMILESCOC1OC(C(=O)O)CC(O)C1O
InChIInChI=1S/C7H12O6/c1-12-7-5(9)3(8)2-4(13-7)6(10)11/h3-5,7-9H,2H2,1H3,(H,10,11)
InChIKeyLHXSGHZXNAACGA-UHFFFAOYSA-N
XLogP-1.45
TPSA96.22 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.17
LogP ≤ 5-1.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4,5-dihydroxy-6-methoxyoxane-2-carboxylic acid with MolForge

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

Launch Full Analysis

Related Compounds

4-amino-5-hydroxy-6-methoxyoxane-2-carboxylic acid
CID 14139997
(2S,4S,5R)-4,5-dihydroxy-6-(4-propan-2-ylcyclohexanecarbonyl)oxyoxane-2-carboxylic acid
CID 166782492
4,5-dihydroxy-6-methoxy-N-(3-methylbutyl)oxane-2-carboxamide
CID 167018978
(2R,3S,4R,5S,6R)-3-[(2R,3S,4R,5S,6R)-6-carboxy-5-[(2R,3S,4S,6S)-6-carboxy-3,4-dihydroxyoxan-2-yl]oxy-3,4-dihydroxyoxan-2-yl]oxy-4,5,6-trihydroxyoxane-2-carboxylic acid
CID 156618809
methyl 2-(4,5-dihydroxy-6-methoxyoxan-2-yl)acetate
CID 67990824
(4,5-dihydroxy-6-methoxyoxan-2-yl) formate
CID 89225737
(2S,3S,4R,5R)-3,4-dihydroxy-5-methoxyoxolane-2-carboxylic acid
CID 130754854
[(2S,5R,6R)-4,5-dihydroxy-6-methoxyoxan-2-yl]methyl acetate
CID 146385304
(2S,3S,4S,6R)-6-(hydroxymethyl)-2-methoxyoxane-3,4-diol
CID 93090180
4-hydroxy-6-methoxyoxane-2-carboxylic acid
CID 123154768
(3S,4S,5R,6R)-3,4,5-trihydroxy-6-methoxyoxane-2-carboxylic acid
CID 16744772
6-(aminomethyl)-2-methoxyoxane-3,4-diol;ethane
CID 142004285

Frequently Asked Questions

What is the IUPAC name of 4,5-dihydroxy-6-methoxyoxane-2-carboxylic acid?
The IUPAC name of 4,5-dihydroxy-6-methoxyoxane-2-carboxylic acid (CID 118519228) is 4,5-dihydroxy-6-methoxyoxane-2-carboxylic acid.
What is the SMILES notation for 4,5-dihydroxy-6-methoxyoxane-2-carboxylic acid?
The canonical SMILES for 4,5-dihydroxy-6-methoxyoxane-2-carboxylic acid is COC1OC(C(=O)O)CC(O)C1O.
What is the InChIKey of 4,5-dihydroxy-6-methoxyoxane-2-carboxylic acid?
The InChIKey is LHXSGHZXNAACGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O6/c1-12-7-5(9)3(8)2-4(13-7)6(10)11/h3-5,7-9H,2H2,1H3,(H,10,11).
What are the key properties of 4,5-dihydroxy-6-methoxyoxane-2-carboxylic acid?
4,5-dihydroxy-6-methoxyoxane-2-carboxylic acid has a molecular weight of 192.17 g/mol, XLogP of -1.45, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dihydroxy-6-methoxyoxane-2-carboxylic acid is sourced from PubChem (CID 118519228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).