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

C6H10O4 — CID 68653499

IUPAC(3R,5R)-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-/m1/s1
InChIKeyPCDZNDBQJQHKCJ-RFZPGFLSSA-N
MW146.14 g/mol
LogP-0.53
Rot. Bonds1

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

(3R,5R)-5-hydroxyoxane-3-carboxylic acid (PubChem CID 68653499) has the molecular formula C6H10O4 and a molecular weight of 146.14 g/mol. Its IUPAC name is (3R,5R)-5-hydroxyoxane-3-carboxylic acid.

Molecular Properties

Compound Name(3R,5R)-5-hydroxyoxane-3-carboxylic acid
PubChem CID68653499
Molecular FormulaC6H10O4
Molecular Weight146.14 g/mol
Exact Mass146.06
IUPAC Name(3R,5R)-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-/m1/s1
InChIKeyPCDZNDBQJQHKCJ-RFZPGFLSSA-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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Related Compounds

(3S,5S)-5-hydroxyoxane-3-carboxylic acid
CID 68653500
(3S,5S)-5-hydroxyoxepane-3-carboxylic acid
CID 68653290
5-ethyloxane-3-carboxylic acid
CID 155745522
(1S,5S)-9-oxo-3-oxabicyclo[3.3.1]nonane-7-carboxylic acid
CID 98124662
(3S)-5-(2-boronoethyl)oxane-3-carboxylic acid
CID 145395392
bis(oxetan-3-yl)methanone
CID 151302953
(2R,4R)-4-hydroxyoxolane-2-carboxylic acid
CID 13314189
(3S,4R)-oxolane-3,4-dicarboxylic acid
CID 45084963
(3R)-oxane-3-carboxylic acid
CID 42554318
3-acetyl-5-hydroxycyclohexane-1-carboxylic acid
CID 89200827
(3S,5S)-5-methyloxolane-3-carboxylic acid
CID 97300455
3-(oxetan-3-ylcarbamoyl)cyclopentane-1-carboxylic acid
CID 103550927

Frequently Asked Questions

What is the IUPAC name of (3R,5R)-5-hydroxyoxane-3-carboxylic acid?
The IUPAC name of (3R,5R)-5-hydroxyoxane-3-carboxylic acid (CID 68653499) is (3R,5R)-5-hydroxyoxane-3-carboxylic acid.
What is the SMILES notation for (3R,5R)-5-hydroxyoxane-3-carboxylic acid?
The canonical SMILES for (3R,5R)-5-hydroxyoxane-3-carboxylic acid is O=C(O)[C@H]1COC[C@H](O)C1.
What is the InChIKey of (3R,5R)-5-hydroxyoxane-3-carboxylic acid?
The InChIKey is PCDZNDBQJQHKCJ-RFZPGFLSSA-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-/m1/s1.
What are the key properties of (3R,5R)-5-hydroxyoxane-3-carboxylic acid?
(3R,5R)-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 (3R,5R)-5-hydroxyoxane-3-carboxylic acid is sourced from PubChem (CID 68653499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).