(2R,3R)-2,3,4-trihydroxypent-4-enoic acid

C5H8O5 — CID 58268619

IUPAC(2R,3R)-2,3,4-trihydroxypent-4-enoic acid
SMILESC=C(O)[C@H](O)[C@@H](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)/t3-,4+/m0/s1
InChIKeyPKURXHTWCXOYCQ-IUYQGCFVSA-N
MW148.11 g/mol
LogP-1.14
Rot. Bonds3

About (2R,3R)-2,3,4-trihydroxypent-4-enoic acid

(2R,3R)-2,3,4-trihydroxypent-4-enoic acid (PubChem CID 58268619) has the molecular formula C5H8O5 and a molecular weight of 148.11 g/mol. Its IUPAC name is (2R,3R)-2,3,4-trihydroxypent-4-enoic acid.

Molecular Properties

Compound Name(2R,3R)-2,3,4-trihydroxypent-4-enoic acid
PubChem CID58268619
Molecular FormulaC5H8O5
Molecular Weight148.11 g/mol
Exact Mass148.04
IUPAC Name(2R,3R)-2,3,4-trihydroxypent-4-enoic acid
SMILESC=C(O)[C@H](O)[C@@H](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)/t3-,4+/m0/s1
InChIKeyPKURXHTWCXOYCQ-IUYQGCFVSA-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 (2R,3R)-2,3,4-trihydroxypent-4-enoic acid?
The IUPAC name of (2R,3R)-2,3,4-trihydroxypent-4-enoic acid (CID 58268619) is (2R,3R)-2,3,4-trihydroxypent-4-enoic acid.
What is the SMILES notation for (2R,3R)-2,3,4-trihydroxypent-4-enoic acid?
The canonical SMILES for (2R,3R)-2,3,4-trihydroxypent-4-enoic acid is C=C(O)[C@H](O)[C@@H](O)C(=O)O.
What is the InChIKey of (2R,3R)-2,3,4-trihydroxypent-4-enoic acid?
The InChIKey is PKURXHTWCXOYCQ-IUYQGCFVSA-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)/t3-,4+/m0/s1.
What are the key properties of (2R,3R)-2,3,4-trihydroxypent-4-enoic acid?
(2R,3R)-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 (2R,3R)-2,3,4-trihydroxypent-4-enoic acid is sourced from PubChem (CID 58268619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).