3-hydroxy-5-(hydroxymethyl)oxolane-2-carboxylic acid

C6H10O5 — CID 14331766

IUPAC3-hydroxy-5-(hydroxymethyl)oxolane-2-carboxylic acid
SMILESO=C(O)C1OC(CO)CC1O
InChIInChI=1S/C6H10O5/c7-2-3-1-4(8)5(11-3)6(9)10/h3-5,7-8H,1-2H2,(H,9,10)
InChIKeyRERUWIYDKKPBNG-UHFFFAOYSA-N
MW162.14 g/mol
LogP-1.42
Rot. Bonds2

About 3-hydroxy-5-(hydroxymethyl)oxolane-2-carboxylic acid

3-hydroxy-5-(hydroxymethyl)oxolane-2-carboxylic acid (PubChem CID 14331766) has the molecular formula C6H10O5 and a molecular weight of 162.14 g/mol. Its IUPAC name is 3-hydroxy-5-(hydroxymethyl)oxolane-2-carboxylic acid.

Molecular Properties

Compound Name3-hydroxy-5-(hydroxymethyl)oxolane-2-carboxylic acid
PubChem CID14331766
Molecular FormulaC6H10O5
Molecular Weight162.14 g/mol
Exact Mass162.05
IUPAC Name3-hydroxy-5-(hydroxymethyl)oxolane-2-carboxylic acid
SMILESO=C(O)C1OC(CO)CC1O
InChIInChI=1S/C6H10O5/c7-2-3-1-4(8)5(11-3)6(9)10/h3-5,7-8H,1-2H2,(H,9,10)
InChIKeyRERUWIYDKKPBNG-UHFFFAOYSA-N
XLogP-1.42
TPSA86.99 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.14
LogP ≤ 5-1.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,3S,5R,6S)-3,5-dihydroxy-6-methyloxane-2-carboxylic acid
CID 167291493
(3S,5S)-3-hydroxy-5-(hydroxymethyl)-N-(3-oxobut-1-en-2-yl)oxolane-2-carbothioamide
CID 143339369
(4S)-7-(hydroxymethyl)oxepane-2,4,5-triol
CID 163289126
(3S,4S,6S)-2-amino-6-(hydroxymethyl)oxane-3,4-diol
CID 89318035
CID 89009829
CID 89009829
ethane;6-(hydroxymethyl)-2-methyloxane-3,4-diol
CID 143276488
(2S,3R,5S)-2-ethenyl-5-(hydroxymethyl)oxolan-3-ol
CID 130917823
(2S,3S,5R,6S)-3,5-dihydroxy-6-(2-methylpropyl)oxane-2-carboxylic acid
CID 155324894
6-(hydroxymethyl)-2-methylsulfanyloxane-3,4-diol
CID 123678113
2-ethynyl-6-(hydroxymethyl)oxane-3,4-diol
CID 144652826
(2S,3S,4S,6R)-6-(hydroxymethyl)-2-methoxyoxane-3,4-diol
CID 93090180
N-[(3R,4R,6S)-2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 14865842

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-5-(hydroxymethyl)oxolane-2-carboxylic acid?
The IUPAC name of 3-hydroxy-5-(hydroxymethyl)oxolane-2-carboxylic acid (CID 14331766) is 3-hydroxy-5-(hydroxymethyl)oxolane-2-carboxylic acid.
What is the SMILES notation for 3-hydroxy-5-(hydroxymethyl)oxolane-2-carboxylic acid?
The canonical SMILES for 3-hydroxy-5-(hydroxymethyl)oxolane-2-carboxylic acid is O=C(O)C1OC(CO)CC1O.
What is the InChIKey of 3-hydroxy-5-(hydroxymethyl)oxolane-2-carboxylic acid?
The InChIKey is RERUWIYDKKPBNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O5/c7-2-3-1-4(8)5(11-3)6(9)10/h3-5,7-8H,1-2H2,(H,9,10).
What are the key properties of 3-hydroxy-5-(hydroxymethyl)oxolane-2-carboxylic acid?
3-hydroxy-5-(hydroxymethyl)oxolane-2-carboxylic acid has a molecular weight of 162.14 g/mol, XLogP of -1.42, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-5-(hydroxymethyl)oxolane-2-carboxylic acid is sourced from PubChem (CID 14331766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).