2,3-dihydroxybutanedioic acid;hydrate

C4H8O7 — CID 22042229

IUPAC2,3-dihydroxybutanedioic acid;hydrate
SMILESO.O=C(O)C(O)C(O)C(=O)O
InChIInChI=1S/C4H6O6.H2O/c5-1(3(7)8)2(6)4(9)10;/h1-2,5-6H,(H,7,8)(H,9,10);1H2
InChIKeyUUDLQDCYDSATCH-UHFFFAOYSA-N
MW168.10 g/mol
LogP-2.95
Rot. Bonds3

About 2,3-dihydroxybutanedioic acid;hydrate

2,3-dihydroxybutanedioic acid;hydrate (PubChem CID 22042229) has the molecular formula C4H8O7 and a molecular weight of 168.10 g/mol. Its IUPAC name is 2,3-dihydroxybutanedioic acid;hydrate.

Molecular Properties

Compound Name2,3-dihydroxybutanedioic acid;hydrate
PubChem CID22042229
Molecular FormulaC4H8O7
Molecular Weight168.10 g/mol
Exact Mass168.03
IUPAC Name2,3-dihydroxybutanedioic acid;hydrate
SMILESO.O=C(O)C(O)C(O)C(=O)O
InChIInChI=1S/C4H6O6.H2O/c5-1(3(7)8)2(6)4(9)10;/h1-2,5-6H,(H,7,8)(H,9,10);1H2
InChIKeyUUDLQDCYDSATCH-UHFFFAOYSA-N
XLogP-2.95
TPSA146.56 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.10
LogP ≤ 5-2.95
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxybutanedioic acid;hydrate?
The IUPAC name of 2,3-dihydroxybutanedioic acid;hydrate (CID 22042229) is 2,3-dihydroxybutanedioic acid;hydrate.
What is the SMILES notation for 2,3-dihydroxybutanedioic acid;hydrate?
The canonical SMILES for 2,3-dihydroxybutanedioic acid;hydrate is O.O=C(O)C(O)C(O)C(=O)O.
What is the InChIKey of 2,3-dihydroxybutanedioic acid;hydrate?
The InChIKey is UUDLQDCYDSATCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O6.H2O/c5-1(3(7)8)2(6)4(9)10;/h1-2,5-6H,(H,7,8)(H,9,10);1H2.
What are the key properties of 2,3-dihydroxybutanedioic acid;hydrate?
2,3-dihydroxybutanedioic acid;hydrate has a molecular weight of 168.10 g/mol, XLogP of -2.95, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxybutanedioic acid;hydrate is sourced from PubChem (CID 22042229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).