(2S)-2,3,3-trihydroxypropanoic acid

C3H6O5 — CID 122198461

IUPAC(2S)-2,3,3-trihydroxypropanoic acid
SMILESO=C(O)[C@@H](O)C(O)O
InChIInChI=1S/C3H6O5/c4-1(2(5)6)3(7)8/h1-2,4-6H,(H,7,8)/t1-/m0/s1
InChIKeyJLQOMQVZUFQCTG-SFOWXEAESA-N
MW122.08 g/mol
LogP-2.26
Rot. Bonds2

About (2S)-2,3,3-trihydroxypropanoic acid

(2S)-2,3,3-trihydroxypropanoic acid (PubChem CID 122198461) has the molecular formula C3H6O5 and a molecular weight of 122.08 g/mol. Its IUPAC name is (2S)-2,3,3-trihydroxypropanoic acid.

Molecular Properties

Compound Name(2S)-2,3,3-trihydroxypropanoic acid
PubChem CID122198461
Molecular FormulaC3H6O5
Molecular Weight122.08 g/mol
Exact Mass122.02
IUPAC Name(2S)-2,3,3-trihydroxypropanoic acid
SMILESO=C(O)[C@@H](O)C(O)O
InChIInChI=1S/C3H6O5/c4-1(2(5)6)3(7)8/h1-2,4-6H,(H,7,8)/t1-/m0/s1
InChIKeyJLQOMQVZUFQCTG-SFOWXEAESA-N
XLogP-2.26
TPSA97.99 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.08
LogP ≤ 5-2.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S,3R,4S,5S)-2,3,4,5-tetrahydroxyhexanedioic acid
CID 6857454
(2R,3S,4S,5R)-2,3,4,5-tetrahydroxyhexanedioic acid
CID 6857450
azane;(2S,3R,4S,5R)-2,3,4,5-tetrahydroxyhexanedioic acid
CID 90473080
CID 88745910
CID 88745910
2,3-dihydroxybutanedioic acid;rhodium
CID 88806318
alumane;2,3-dihydroxybutanedioic acid
CID 173001814
azane;(2R,3S)-2,3-dihydroxybutanedioic acid
CID 175972290
CID 175721627
CID 175721627
(2R,3S)-2,3-dihydroxybutanedioic acid;zinc
CID 175911129
2,3-dihydroxybutanedioic acid;iron(2+)
CID 3083786
alumane;copper;2,3,4,5-tetrahydroxyhexanedioic acid
CID 175292865
azanide;2,3-dihydroxybutanedioic acid;titanium
CID 87433733

Frequently Asked Questions

What is the IUPAC name of (2S)-2,3,3-trihydroxypropanoic acid?
The IUPAC name of (2S)-2,3,3-trihydroxypropanoic acid (CID 122198461) is (2S)-2,3,3-trihydroxypropanoic acid.
What is the SMILES notation for (2S)-2,3,3-trihydroxypropanoic acid?
The canonical SMILES for (2S)-2,3,3-trihydroxypropanoic acid is O=C(O)[C@@H](O)C(O)O.
What is the InChIKey of (2S)-2,3,3-trihydroxypropanoic acid?
The InChIKey is JLQOMQVZUFQCTG-SFOWXEAESA-N. The full InChI is InChI=1S/C3H6O5/c4-1(2(5)6)3(7)8/h1-2,4-6H,(H,7,8)/t1-/m0/s1.
What are the key properties of (2S)-2,3,3-trihydroxypropanoic acid?
(2S)-2,3,3-trihydroxypropanoic acid has a molecular weight of 122.08 g/mol, XLogP of -2.26, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2,3,3-trihydroxypropanoic acid is sourced from PubChem (CID 122198461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).