2,4-dihydroxy-3-(2-hydroxyethoxy)butanoic acid

C6H12O6 — CID 21325453

IUPAC2,4-dihydroxy-3-(2-hydroxyethoxy)butanoic acid
SMILESO=C(O)C(O)C(CO)OCCO
InChIInChI=1S/C6H12O6/c7-1-2-12-4(3-8)5(9)6(10)11/h4-5,7-9H,1-3H2,(H,10,11)
InChIKeyDBGNZLGFADRTCA-UHFFFAOYSA-N
MW180.16 g/mol
LogP-2.20
Rot. Bonds6

About 2,4-dihydroxy-3-(2-hydroxyethoxy)butanoic acid

2,4-dihydroxy-3-(2-hydroxyethoxy)butanoic acid (PubChem CID 21325453) has the molecular formula C6H12O6 and a molecular weight of 180.16 g/mol. Its IUPAC name is 2,4-dihydroxy-3-(2-hydroxyethoxy)butanoic acid.

Molecular Properties

Compound Name2,4-dihydroxy-3-(2-hydroxyethoxy)butanoic acid
PubChem CID21325453
Molecular FormulaC6H12O6
Molecular Weight180.16 g/mol
Exact Mass180.06
IUPAC Name2,4-dihydroxy-3-(2-hydroxyethoxy)butanoic acid
SMILESO=C(O)C(O)C(CO)OCCO
InChIInChI=1S/C6H12O6/c7-1-2-12-4(3-8)5(9)6(10)11/h4-5,7-9H,1-3H2,(H,10,11)
InChIKeyDBGNZLGFADRTCA-UHFFFAOYSA-N
XLogP-2.20
TPSA107.22 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.16
LogP ≤ 5-2.20
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

2,3-bis(2-hydroxyethoxy)butanedioic acid
CID 174652716
5-(2-hydroxyethoxy)hexane-1,2,3,4,6-pentol
CID 86156615
3-amino-2-(2-hydroxyethoxy)butan-1-ol
CID 134265576
2-[carboxy(2-hydroxyethoxy)methoxy]-2-(2-hydroxyethoxy)acetic acid
CID 118435325
2-[2-hydroxy-1-(2-hydroxyethoxy)ethyl]-16-methylheptadecanoic acid;pentane-2,3-diol
CID 88505396
2,4-dihydroxy-3-(hydroxymethyl)butanoic acid
CID 18767454
2,3-dihydroxybutanedioic acid;2-(2-hydroxyethoxy)ethanol;2-(2-propoxyethoxy)ethanol
CID 87459170
3-hydroxy-2-propoxypropanoic acid
CID 87915368
2-(2-hydroxyethoxy)-3-methoxypropanoic acid
CID 168724097
3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]butane-1,2,4-triol
CID 22358954
2,3-diethoxy-4-(2-hydroxyethoxy)pentane-1,5-diol
CID 90387499
(2R,3S)-2,3,4-trihydroxybutanoic acid;hydrochloride
CID 162317109

Frequently Asked Questions

What is the IUPAC name of 2,4-dihydroxy-3-(2-hydroxyethoxy)butanoic acid?
The IUPAC name of 2,4-dihydroxy-3-(2-hydroxyethoxy)butanoic acid (CID 21325453) is 2,4-dihydroxy-3-(2-hydroxyethoxy)butanoic acid.
What is the SMILES notation for 2,4-dihydroxy-3-(2-hydroxyethoxy)butanoic acid?
The canonical SMILES for 2,4-dihydroxy-3-(2-hydroxyethoxy)butanoic acid is O=C(O)C(O)C(CO)OCCO.
What is the InChIKey of 2,4-dihydroxy-3-(2-hydroxyethoxy)butanoic acid?
The InChIKey is DBGNZLGFADRTCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O6/c7-1-2-12-4(3-8)5(9)6(10)11/h4-5,7-9H,1-3H2,(H,10,11).
What are the key properties of 2,4-dihydroxy-3-(2-hydroxyethoxy)butanoic acid?
2,4-dihydroxy-3-(2-hydroxyethoxy)butanoic acid has a molecular weight of 180.16 g/mol, XLogP of -2.20, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dihydroxy-3-(2-hydroxyethoxy)butanoic acid is sourced from PubChem (CID 21325453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).