1-(1-Hydroxyethyl)-4-isocyano-4-cyclopentene-1,2,3-triol

AlkaPlorer ID: AK301126

Synonym: 1-(1,4,5-Trihydroxy-2-isocyano-2-cyclopentenyl)ethanol

IUPAC Name: 1-(1-hydroxyethyl)-4-isocyanocyclopent-4-ene-1,2,3-triol

Structure

SMILES: [C-]#[N+]C1=CC(O)(C(C)O)C(O)C1O

copy

InChI: InChI=1S/C8H11NO4/c1-4(10)8(13)3-5(9-2)6(11)7(8)12/h3-4,6-7,10-13H,1H3

copy

InChIKey: IGGOWFZBVPRSMG-UHFFFAOYSA-N

copy

Properties Information

Molecule Weight: 185.179

TPSA: 85.28

MolLogP: -1.36311

Number of H-Donors: 4

Number of H-Acceptors: 4

RingCount: 1

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information