3,4-dihydroxybutanoic acid;formic acid

C5H10O6 — CID 90280644

IUPAC3,4-dihydroxybutanoic acid;formic acid
SMILESO=C(O)CC(O)CO.O=CO
InChIInChI=1S/C4H8O4.CH2O2/c5-2-3(6)1-4(7)8;2-1-3/h3,5-6H,1-2H2,(H,7,8);1H,(H,2,3)
InChIKeyFBCWJUHHYALOCA-UHFFFAOYSA-N
MW166.13 g/mol
LogP-1.48
Rot. Bonds3

About 3,4-dihydroxybutanoic acid;formic acid

3,4-dihydroxybutanoic acid;formic acid (PubChem CID 90280644) has the molecular formula C5H10O6 and a molecular weight of 166.13 g/mol. Its IUPAC name is 3,4-dihydroxybutanoic acid;formic acid.

Molecular Properties

Compound Name3,4-dihydroxybutanoic acid;formic acid
PubChem CID90280644
Molecular FormulaC5H10O6
Molecular Weight166.13 g/mol
Exact Mass166.05
IUPAC Name3,4-dihydroxybutanoic acid;formic acid
SMILESO=C(O)CC(O)CO.O=CO
InChIInChI=1S/C4H8O4.CH2O2/c5-2-3(6)1-4(7)8;2-1-3/h3,5-6H,1-2H2,(H,7,8);1H,(H,2,3)
InChIKeyFBCWJUHHYALOCA-UHFFFAOYSA-N
XLogP-1.48
TPSA115.06 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.13
LogP ≤ 5-1.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-(2,3-dihydroxypropyl)-5,6-dihydroxyhex-2-enoic acid
CID 87374112
(3R)-4-(18F)fluoro-3-hydroxybutanoic acid
CID 172854074
3-(2,3-dihydroxypropoxy)propane-1,2-diol;formic acid
CID 174848514
(3R)-3-(hydroxymethyl)pent-4-enoic acid
CID 55303108
(3S)-3-hydroxypent-4-enoic acid
CID 12740485
3-hydroxypentanoic acid;methanol
CID 174973747
(3S)-3-amino-4-(2,3-dihydroxypropoxy)-4-oxobutanoic acid
CID 54121468
4-[(3-amino-2-hydroxy-3-oxopropyl)amino]-3-hydroxybutanoic acid
CID 106178077
decanedioic acid;hexakis(propane-1,2,3-triol)
CID 157296752
hydroxymethyl 3,4-dihydroxybutanoate
CID 174572544
3-hydroxy-4-methylsulfanylbutanoic acid
CID 82771148
formic acid;hexane-1,2,3,4,5,6-hexol
CID 139544091

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydroxybutanoic acid;formic acid?
The IUPAC name of 3,4-dihydroxybutanoic acid;formic acid (CID 90280644) is 3,4-dihydroxybutanoic acid;formic acid.
What is the SMILES notation for 3,4-dihydroxybutanoic acid;formic acid?
The canonical SMILES for 3,4-dihydroxybutanoic acid;formic acid is O=C(O)CC(O)CO.O=CO.
What is the InChIKey of 3,4-dihydroxybutanoic acid;formic acid?
The InChIKey is FBCWJUHHYALOCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O4.CH2O2/c5-2-3(6)1-4(7)8;2-1-3/h3,5-6H,1-2H2,(H,7,8);1H,(H,2,3).
What are the key properties of 3,4-dihydroxybutanoic acid;formic acid?
3,4-dihydroxybutanoic acid;formic acid has a molecular weight of 166.13 g/mol, XLogP of -1.48, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydroxybutanoic acid;formic acid is sourced from PubChem (CID 90280644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).