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

C8H14O5 — CID 59559143

IUPAC2,4-dihydroxy-5,6-dimethyloxane-2-carboxylic acid
SMILESCC1OC(O)(C(=O)O)CC(O)C1C
InChIInChI=1S/C8H14O5/c1-4-5(2)13-8(12,7(10)11)3-6(4)9/h4-6,9,12H,3H2,1-2H3,(H,10,11)
InChIKeyRJSKCDAGRMJNNC-UHFFFAOYSA-N
MW190.19 g/mol
LogP-0.43
Rot. Bonds1

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

2,4-dihydroxy-5,6-dimethyloxane-2-carboxylic acid (PubChem CID 59559143) has the molecular formula C8H14O5 and a molecular weight of 190.19 g/mol. Its IUPAC name is 2,4-dihydroxy-5,6-dimethyloxane-2-carboxylic acid.

Molecular Properties

Compound Name2,4-dihydroxy-5,6-dimethyloxane-2-carboxylic acid
PubChem CID59559143
Molecular FormulaC8H14O5
Molecular Weight190.19 g/mol
Exact Mass190.08
IUPAC Name2,4-dihydroxy-5,6-dimethyloxane-2-carboxylic acid
SMILESCC1OC(O)(C(=O)O)CC(O)C1C
InChIInChI=1S/C8H14O5/c1-4-5(2)13-8(12,7(10)11)3-6(4)9/h4-6,9,12H,3H2,1-2H3,(H,10,11)
InChIKeyRJSKCDAGRMJNNC-UHFFFAOYSA-N
XLogP-0.43
TPSA86.99 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.19
LogP ≤ 5-0.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2,4,5,6-tetrahydroxyoxane-2-carboxylic acid
CID 18504511
CID 59879035
CID 59879035
(2R,4R)-6-(1,2-dihydroxyethyl)-2,4,5-trihydroxyoxane-2-carboxylic acid
CID 174067243
(4R,5S,6R)-6-[(1S)-1,2-dihydroxyethyl]-2,4,5-trihydroxyoxane-2-carboxylic acid
CID 155539835
(5R)-5-amino-6-[(1R,2R)-1,2-dihydroxybutyl]-2,4-dihydroxyoxane-2-carboxylic acid
CID 121291182
(5R)-5-amino-6-[(1R,2R)-3-amino-1,2-dihydroxypropyl]-2,4-dihydroxyoxane-2-carboxylic acid
CID 121291183
(4R,5R)-5-[(1R)-2-(dipropylamino)-1-hydroxy-2-oxoethyl]-2,4-dihydroxyoxolane-2-carboxylic acid
CID 11185811
(5R,6S)-5-amino-2,4-dihydroxy-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylic acid
CID 59331138
(4S,5R,6R)-5-amino-6-(1,3-dihydroxy-2-methoxypropyl)-2,4-dihydroxyoxane-2-carboxylic acid
CID 174240920
2,4-dihydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylate
CID 59148848
(2S,4S,5R,6R)-6-[(1R,2R)-1-acetamido-2-hydroxypropyl]-5-amino-2,4-dihydroxyoxane-2-carboxylic acid
CID 91862440
(2R,5R)-5-acetamido-2,4-dihydroxy-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylic acid
CID 102004932

Frequently Asked Questions

What is the IUPAC name of 2,4-dihydroxy-5,6-dimethyloxane-2-carboxylic acid?
The IUPAC name of 2,4-dihydroxy-5,6-dimethyloxane-2-carboxylic acid (CID 59559143) is 2,4-dihydroxy-5,6-dimethyloxane-2-carboxylic acid.
What is the SMILES notation for 2,4-dihydroxy-5,6-dimethyloxane-2-carboxylic acid?
The canonical SMILES for 2,4-dihydroxy-5,6-dimethyloxane-2-carboxylic acid is CC1OC(O)(C(=O)O)CC(O)C1C.
What is the InChIKey of 2,4-dihydroxy-5,6-dimethyloxane-2-carboxylic acid?
The InChIKey is RJSKCDAGRMJNNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O5/c1-4-5(2)13-8(12,7(10)11)3-6(4)9/h4-6,9,12H,3H2,1-2H3,(H,10,11).
What are the key properties of 2,4-dihydroxy-5,6-dimethyloxane-2-carboxylic acid?
2,4-dihydroxy-5,6-dimethyloxane-2-carboxylic acid has a molecular weight of 190.19 g/mol, XLogP of -0.43, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dihydroxy-5,6-dimethyloxane-2-carboxylic acid is sourced from PubChem (CID 59559143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).