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

C5H10O5 — CID 18767454

IUPAC2,4-dihydroxy-3-(hydroxymethyl)butanoic acid
SMILESO=C(O)C(O)C(CO)CO
InChIInChI=1S/C5H10O5/c6-1-3(2-7)4(8)5(9)10/h3-4,6-8H,1-2H2,(H,9,10)
InChIKeyRXVSUXOYOCJMAP-UHFFFAOYSA-N
MW150.13 g/mol
LogP-1.97
Rot. Bonds4

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

2,4-dihydroxy-3-(hydroxymethyl)butanoic acid (PubChem CID 18767454) has the molecular formula C5H10O5 and a molecular weight of 150.13 g/mol. Its IUPAC name is 2,4-dihydroxy-3-(hydroxymethyl)butanoic acid.

Molecular Properties

Compound Name2,4-dihydroxy-3-(hydroxymethyl)butanoic acid
PubChem CID18767454
Molecular FormulaC5H10O5
Molecular Weight150.13 g/mol
Exact Mass150.05
IUPAC Name2,4-dihydroxy-3-(hydroxymethyl)butanoic acid
SMILESO=C(O)C(O)C(CO)CO
InChIInChI=1S/C5H10O5/c6-1-3(2-7)4(8)5(9)10/h3-4,6-8H,1-2H2,(H,9,10)
InChIKeyRXVSUXOYOCJMAP-UHFFFAOYSA-N
XLogP-1.97
TPSA97.99 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.13
LogP ≤ 5-1.97
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,3S)-2,3,4-trihydroxybutanoic acid;hydrochloride
CID 162317109
3-amino-2,4-dihydroxybutanoic acid
CID 14888070
2,3,4,5-tetrahydroxypentanoic acid
CID 10264
(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxy(113C)hexanoic acid
CID 165412478
hexane-1,2,3,4,5,6-hexol;2,3,4,5,6-pentahydroxyhexanoic acid
CID 174726112
(4R)-2,3,4,5,6-pentahydroxyhexanoic acid
CID 134944021
boric acid;(2R,3R)-2,3-dihydroxybutanedioic acid;propane-1,2,3-triol
CID 172857542
(3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoic acid
CID 11479470
2,3-dihydroxybutanedioic acid;2-ethylhexane-1,3-diol
CID 161019613
CID 88745910
CID 88745910
azane;(2R,3S)-2,3-dihydroxybutanedioic acid
CID 175972290
2,3-dihydroxybutanedioic acid;rhodium
CID 88806318

Frequently Asked Questions

What is the IUPAC name of 2,4-dihydroxy-3-(hydroxymethyl)butanoic acid?
The IUPAC name of 2,4-dihydroxy-3-(hydroxymethyl)butanoic acid (CID 18767454) is 2,4-dihydroxy-3-(hydroxymethyl)butanoic acid.
What is the SMILES notation for 2,4-dihydroxy-3-(hydroxymethyl)butanoic acid?
The canonical SMILES for 2,4-dihydroxy-3-(hydroxymethyl)butanoic acid is O=C(O)C(O)C(CO)CO.
What is the InChIKey of 2,4-dihydroxy-3-(hydroxymethyl)butanoic acid?
The InChIKey is RXVSUXOYOCJMAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O5/c6-1-3(2-7)4(8)5(9)10/h3-4,6-8H,1-2H2,(H,9,10).
What are the key properties of 2,4-dihydroxy-3-(hydroxymethyl)butanoic acid?
2,4-dihydroxy-3-(hydroxymethyl)butanoic acid has a molecular weight of 150.13 g/mol, XLogP of -1.97, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dihydroxy-3-(hydroxymethyl)butanoic acid is sourced from PubChem (CID 18767454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).