2,3,4-trihydroxypent-4-enoic acid

C5H8O5 — CID 76750710

IUPAC2,3,4-trihydroxypent-4-enoic acid
SMILESC=C(O)C(O)C(O)C(=O)O
InChIInChI=1S/C5H8O5/c1-2(6)3(7)4(8)5(9)10/h3-4,6-8H,1H2,(H,9,10)
InChIKeyPKURXHTWCXOYCQ-UHFFFAOYSA-N
MW148.11 g/mol
LogP-1.14
Rot. Bonds3

About 2,3,4-trihydroxypent-4-enoic acid

2,3,4-trihydroxypent-4-enoic acid (PubChem CID 76750710) has the molecular formula C5H8O5 and a molecular weight of 148.11 g/mol. Its IUPAC name is 2,3,4-trihydroxypent-4-enoic acid.

Molecular Properties

Compound Name2,3,4-trihydroxypent-4-enoic acid
PubChem CID76750710
Molecular FormulaC5H8O5
Molecular Weight148.11 g/mol
Exact Mass148.04
IUPAC Name2,3,4-trihydroxypent-4-enoic acid
SMILESC=C(O)C(O)C(O)C(=O)O
InChIInChI=1S/C5H8O5/c1-2(6)3(7)4(8)5(9)10/h3-4,6-8H,1H2,(H,9,10)
InChIKeyPKURXHTWCXOYCQ-UHFFFAOYSA-N
XLogP-1.14
TPSA97.99 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.11
LogP ≤ 5-1.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3,4-trihydroxypent-4-enoic acid?
The IUPAC name of 2,3,4-trihydroxypent-4-enoic acid (CID 76750710) is 2,3,4-trihydroxypent-4-enoic acid.
What is the SMILES notation for 2,3,4-trihydroxypent-4-enoic acid?
The canonical SMILES for 2,3,4-trihydroxypent-4-enoic acid is C=C(O)C(O)C(O)C(=O)O.
What is the InChIKey of 2,3,4-trihydroxypent-4-enoic acid?
The InChIKey is PKURXHTWCXOYCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O5/c1-2(6)3(7)4(8)5(9)10/h3-4,6-8H,1H2,(H,9,10).
What are the key properties of 2,3,4-trihydroxypent-4-enoic acid?
2,3,4-trihydroxypent-4-enoic acid has a molecular weight of 148.11 g/mol, XLogP of -1.14, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trihydroxypent-4-enoic acid is sourced from PubChem (CID 76750710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).