(4R)-3,3-dihydroxydioxane-4-carboxylic acid

C5H8O6 — CID 102182631

IUPAC(4R)-3,3-dihydroxydioxane-4-carboxylic acid
SMILESO=C(O)[C@H]1CCOOC1(O)O
InChIInChI=1S/C5H8O6/c6-4(7)3-1-2-10-11-5(3,8)9/h3,8-9H,1-2H2,(H,6,7)/t3-/m1/s1
InChIKeySDWVLTCBZFJLKC-GSVOUGTGSA-N
MW164.11 g/mol
LogP-1.32
Rot. Bonds1

About (4R)-3,3-dihydroxydioxane-4-carboxylic acid

(4R)-3,3-dihydroxydioxane-4-carboxylic acid (PubChem CID 102182631) has the molecular formula C5H8O6 and a molecular weight of 164.11 g/mol. Its IUPAC name is (4R)-3,3-dihydroxydioxane-4-carboxylic acid.

Molecular Properties

Compound Name(4R)-3,3-dihydroxydioxane-4-carboxylic acid
PubChem CID102182631
Molecular FormulaC5H8O6
Molecular Weight164.11 g/mol
Exact Mass164.03
IUPAC Name(4R)-3,3-dihydroxydioxane-4-carboxylic acid
SMILESO=C(O)[C@H]1CCOOC1(O)O
InChIInChI=1S/C5H8O6/c6-4(7)3-1-2-10-11-5(3,8)9/h3,8-9H,1-2H2,(H,6,7)/t3-/m1/s1
InChIKeySDWVLTCBZFJLKC-GSVOUGTGSA-N
XLogP-1.32
TPSA96.22 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.11
LogP ≤ 5-1.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

(3R)-2,2-dimethyloxolane-3-carboxylic acid
CID 124539892
2,2-dimethyloxolane-3-carboxylic acid
CID 21133941
6-aminospiro[2.5]octane-2-carboxylic acid
CID 84653499
(3R)-7-oxaspiro[3.5]nonane-3-carboxylic acid
CID 125041561
(2R,3R)-2-hydroxy-2-(trifluoromethyl)oxane-3-carboxylic acid
CID 11264350
(2R)-spiro[2.5]octane-2-carboxylic acid
CID 10419388
2,2-dimethylcyclopentane-1,3-dicarboxylic acid
CID 5315650
6-(cyclopropanecarbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119174410
6-(methylamino)spiro[2.5]octane-2-carboxylic acid
CID 129319663
cyclobutanecarboxylic acid;hydrofluoride
CID 161438543
6-azaspiro[2.5]octane-2-carboxylic acid
CID 51342230
6-(methylamino)spiro[2.5]octane-2-carboxylic acid;hydrochloride
CID 171314814

Frequently Asked Questions

What is the IUPAC name of (4R)-3,3-dihydroxydioxane-4-carboxylic acid?
The IUPAC name of (4R)-3,3-dihydroxydioxane-4-carboxylic acid (CID 102182631) is (4R)-3,3-dihydroxydioxane-4-carboxylic acid.
What is the SMILES notation for (4R)-3,3-dihydroxydioxane-4-carboxylic acid?
The canonical SMILES for (4R)-3,3-dihydroxydioxane-4-carboxylic acid is O=C(O)[C@H]1CCOOC1(O)O.
What is the InChIKey of (4R)-3,3-dihydroxydioxane-4-carboxylic acid?
The InChIKey is SDWVLTCBZFJLKC-GSVOUGTGSA-N. The full InChI is InChI=1S/C5H8O6/c6-4(7)3-1-2-10-11-5(3,8)9/h3,8-9H,1-2H2,(H,6,7)/t3-/m1/s1.
What are the key properties of (4R)-3,3-dihydroxydioxane-4-carboxylic acid?
(4R)-3,3-dihydroxydioxane-4-carboxylic acid has a molecular weight of 164.11 g/mol, XLogP of -1.32, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3,3-dihydroxydioxane-4-carboxylic acid is sourced from PubChem (CID 102182631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).