(2S,3S)-pent-4-ene-1,2,3-triol

C5H10O3 — CID 641010

IUPAC(2S,3S)-pent-4-ene-1,2,3-triol
SMILESC=C[C@H](O)[C@@H](O)CO
InChIInChI=1S/C5H10O3/c1-2-4(7)5(8)3-6/h2,4-8H,1,3H2/t4-,5-/m0/s1
InChIKeyMHGMBRBPBZPUAD-WHFBIAKZSA-N
MW118.13 g/mol
LogP-1.11
Rot. Bonds3

About (2S,3S)-pent-4-ene-1,2,3-triol

(2S,3S)-pent-4-ene-1,2,3-triol (PubChem CID 641010) has the molecular formula C5H10O3 and a molecular weight of 118.13 g/mol. Its IUPAC name is (2S,3S)-pent-4-ene-1,2,3-triol.

Molecular Properties

Compound Name(2S,3S)-pent-4-ene-1,2,3-triol
PubChem CID641010
Molecular FormulaC5H10O3
Molecular Weight118.13 g/mol
Exact Mass118.06
IUPAC Name(2S,3S)-pent-4-ene-1,2,3-triol
SMILESC=C[C@H](O)[C@@H](O)CO
InChIInChI=1S/C5H10O3/c1-2-4(7)5(8)3-6/h2,4-8H,1,3H2/t4-,5-/m0/s1
InChIKeyMHGMBRBPBZPUAD-WHFBIAKZSA-N
XLogP-1.11
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.13
LogP ≤ 5-1.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-pent-4-ene-1,2,3-triol?
The IUPAC name of (2S,3S)-pent-4-ene-1,2,3-triol (CID 641010) is (2S,3S)-pent-4-ene-1,2,3-triol.
What is the SMILES notation for (2S,3S)-pent-4-ene-1,2,3-triol?
The canonical SMILES for (2S,3S)-pent-4-ene-1,2,3-triol is C=C[C@H](O)[C@@H](O)CO.
What is the InChIKey of (2S,3S)-pent-4-ene-1,2,3-triol?
The InChIKey is MHGMBRBPBZPUAD-WHFBIAKZSA-N. The full InChI is InChI=1S/C5H10O3/c1-2-4(7)5(8)3-6/h2,4-8H,1,3H2/t4-,5-/m0/s1.
What are the key properties of (2S,3S)-pent-4-ene-1,2,3-triol?
(2S,3S)-pent-4-ene-1,2,3-triol has a molecular weight of 118.13 g/mol, XLogP of -1.11, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-pent-4-ene-1,2,3-triol is sourced from PubChem (CID 641010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).