2-Amino-1,3,4-octadecanetriol; (2ξ,3ξ,4ξ)-form

AlkaPlorer ID: AK286736

Synonym: None

IUPAC Name: 1,3,4-trihydroxyoctadecan-2-ylazanium

Structure

SMILES: CCCCCCCCCCCCCCC(O)C(O)C([NH3+])CO

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InChI: InChI=1S/C18H39NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17(21)18(22)16(19)15-20/h16-18,20-22H,2-15,19H2,1H3/p+1

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InChIKey: AERBNCYCJBRYDG-UHFFFAOYSA-O

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Properties Information

Molecule Weight: 318.522

TPSA: 88.33

MolLogP: 2.4021999999999992

Number of H-Donors: 4

Number of H-Acceptors: 3

RingCount: 0

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information