(4R)-3-hydroxyoxane-4-carboxylic acid

C6H10O4 — CID 156677456

IUPAC(4R)-3-hydroxyoxane-4-carboxylic acid
SMILESO=C(O)[C@@H]1CCOCC1O
InChIInChI=1S/C6H10O4/c7-5-3-10-2-1-4(5)6(8)9/h4-5,7H,1-3H2,(H,8,9)/t4-,5?/m1/s1
InChIKeyGGOPUYRBZYUQOT-CNZKWPKMSA-N
MW146.14 g/mol
LogP-0.53
Rot. Bonds1

About (4R)-3-hydroxyoxane-4-carboxylic acid

(4R)-3-hydroxyoxane-4-carboxylic acid (PubChem CID 156677456) has the molecular formula C6H10O4 and a molecular weight of 146.14 g/mol. Its IUPAC name is (4R)-3-hydroxyoxane-4-carboxylic acid.

Molecular Properties

Compound Name(4R)-3-hydroxyoxane-4-carboxylic acid
PubChem CID156677456
Molecular FormulaC6H10O4
Molecular Weight146.14 g/mol
Exact Mass146.06
IUPAC Name(4R)-3-hydroxyoxane-4-carboxylic acid
SMILESO=C(O)[C@@H]1CCOCC1O
InChIInChI=1S/C6H10O4/c7-5-3-10-2-1-4(5)6(8)9/h4-5,7H,1-3H2,(H,8,9)/t4-,5?/m1/s1
InChIKeyGGOPUYRBZYUQOT-CNZKWPKMSA-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

4-Hydroxyoxolane-3-carboxylic acid
CID 54443687
rac-methyl (3R,5S)-5-hydroxyoxane-3-carboxylate
CID 69124467
2-Deoxy-ribono-1,5-lactone
CID 22882834
2-(1,4-Dioxan-2-yl)butanoic acid
CID 57136858
Methyl 5-hydroxyoxane-3-carboxylate
CID 57452017
3-Ethyl-4-hydroxy-dihydro-furan-2-one
CID 568332
2-(1,4-Dioxan-2-yl)-3-hydroxybutanoic acid
CID 91331906
3-Hydroxy-4-methoxy-2-methylpentanoic acid
CID 129803968
ethyl (2R,3R)-2-(hydroxymethyl)oxolane-3-carboxylate
CID 135077518
3-Hydroxy-4-(2,2,2-trifluoroethyl)oxane-4-carboxylic acid
CID 84792078
Butanoic acid, 2-ethyl-3-hydroxy-4-(1,1-dimethylethoxy)-, methyl ester
CID 546409
(4R,5S)-4,5-dihydroxyoxan-2-one
CID 11309527

Frequently Asked Questions

What is the IUPAC name of (4R)-3-hydroxyoxane-4-carboxylic acid?
The IUPAC name of (4R)-3-hydroxyoxane-4-carboxylic acid (CID 156677456) is (4R)-3-hydroxyoxane-4-carboxylic acid.
What is the SMILES notation for (4R)-3-hydroxyoxane-4-carboxylic acid?
The canonical SMILES for (4R)-3-hydroxyoxane-4-carboxylic acid is O=C(O)[C@@H]1CCOCC1O.
What is the InChIKey of (4R)-3-hydroxyoxane-4-carboxylic acid?
The InChIKey is GGOPUYRBZYUQOT-CNZKWPKMSA-N. The full InChI is InChI=1S/C6H10O4/c7-5-3-10-2-1-4(5)6(8)9/h4-5,7H,1-3H2,(H,8,9)/t4-,5?/m1/s1.
What are the key properties of (4R)-3-hydroxyoxane-4-carboxylic acid?
(4R)-3-hydroxyoxane-4-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 (4R)-3-hydroxyoxane-4-carboxylic acid is sourced from PubChem (CID 156677456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).