(3S,5S)-5-hydroxyoxane-3-carboxylic acid

C6H10O4 — CID 68653500

IUPAC(3S,5S)-5-hydroxyoxane-3-carboxylic acid
SMILESO=C(O)[C@@H]1COC[C@@H](O)C1
InChIInChI=1S/C6H10O4/c7-5-1-4(6(8)9)2-10-3-5/h4-5,7H,1-3H2,(H,8,9)/t4-,5-/m0/s1
InChIKeyPCDZNDBQJQHKCJ-WHFBIAKZSA-N
MW146.14 g/mol
LogP-0.53
Rot. Bonds1

About (3S,5S)-5-hydroxyoxane-3-carboxylic acid

(3S,5S)-5-hydroxyoxane-3-carboxylic acid (PubChem CID 68653500) has the molecular formula C6H10O4 and a molecular weight of 146.14 g/mol. Its IUPAC name is (3S,5S)-5-hydroxyoxane-3-carboxylic acid.

Molecular Properties

Compound Name(3S,5S)-5-hydroxyoxane-3-carboxylic acid
PubChem CID68653500
Molecular FormulaC6H10O4
Molecular Weight146.14 g/mol
Exact Mass146.06
IUPAC Name(3S,5S)-5-hydroxyoxane-3-carboxylic acid
SMILESO=C(O)[C@@H]1COC[C@@H](O)C1
InChIInChI=1S/C6H10O4/c7-5-1-4(6(8)9)2-10-3-5/h4-5,7H,1-3H2,(H,8,9)/t4-,5-/m0/s1
InChIKeyPCDZNDBQJQHKCJ-WHFBIAKZSA-N
XLogP-0.53
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.14
LogP ≤ 5-0.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S,5S)-5-hydroxyoxane-3-carboxylic acid?
The IUPAC name of (3S,5S)-5-hydroxyoxane-3-carboxylic acid (CID 68653500) is (3S,5S)-5-hydroxyoxane-3-carboxylic acid.
What is the SMILES notation for (3S,5S)-5-hydroxyoxane-3-carboxylic acid?
The canonical SMILES for (3S,5S)-5-hydroxyoxane-3-carboxylic acid is O=C(O)[C@@H]1COC[C@@H](O)C1.
What is the InChIKey of (3S,5S)-5-hydroxyoxane-3-carboxylic acid?
The InChIKey is PCDZNDBQJQHKCJ-WHFBIAKZSA-N. The full InChI is InChI=1S/C6H10O4/c7-5-1-4(6(8)9)2-10-3-5/h4-5,7H,1-3H2,(H,8,9)/t4-,5-/m0/s1.
What are the key properties of (3S,5S)-5-hydroxyoxane-3-carboxylic acid?
(3S,5S)-5-hydroxyoxane-3-carboxylic acid has a molecular weight of 146.14 g/mol, XLogP of -0.53, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5S)-5-hydroxyoxane-3-carboxylic acid is sourced from PubChem (CID 68653500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).