(2S,3R,4S,5S,6R)-2-[(2R)-2,3-dihydroxypropoxy]-6-[(1R,2S)-1-acetamido-2-hydroxypropyl]-3,4-dihydroxy-5-[(3S)-3-hydroxybutanamido]oxane-2-carboxylic acid

AlkaPlorer ID: AK479968

Synonym: None

IUPAC Name: 6-(1-acetamido-2-hydroxypropyl)-2-(2,3-dihydroxypropoxy)-3,4-dihydroxy-5-(3-hydroxybutanoylamino)oxane-2-carboxylic acid

Structure

SMILES: CC(O)=NC(C(C)O)C1OC(OCC(O)CO)(C(=O)O)C(O)C(O)C1N=C(O)CC(C)O

copy

InChI: InChI=1S/C18H32N2O12/c1-7(22)4-11(26)20-13-14(27)16(28)18(17(29)30,31-6-10(25)5-21)32-15(13)12(8(2)23)19-9(3)24/h7-8,10,12-16,21-23,25,27-28H,4-6H2,1-3H3,(H,19,24)(H,20,26)(H,29,30)

copy

InChIKey: ONDFFYFWLFFXRM-UHFFFAOYSA-N

copy

Properties Information

Molecule Weight: 468.4560000000001

TPSA: 242.32

MolLogP: -2.920499999999996

Number of H-Donors: 9

Number of H-Acceptors: 11

RingCount: 1

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information