Apramycin; 4''-Deamino, 4''-hydroxy

AlkaPlorer ID: AK289058

Synonym: Saccharocin, KA 5685, Antibiotic KA 5685

IUPAC Name: 2-[[7-amino-6-(4,6-diamino-2,3-dihydroxycyclohexyl)oxy-4-hydroxy-3-(methylamino)-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-2-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

Structure

SMILES: CNC1C(OC2OC(CO)C(O)C(O)C2O)OC2CC(N)C(OC3C(N)CC(N)C(O)C3O)OC2C1O

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InChI: InChI=1S/C21H40N4O12/c1-25-10-13(29)18-8(33-20(10)37-21-16(32)14(30)12(28)9(4-26)34-21)3-7(24)19(36-18)35-17-6(23)2-5(22)11(27)15(17)31/h5-21,25-32H,2-4,22-24H2,1H3

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InChIKey: WKKBQRRWYZAXFF-UHFFFAOYSA-N

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Reference

PubChem CID: 15588756

CAS: 86630-31-1

COCONUT: CNP0325129.3

Properties Information

Molecule Weight: 540.5670000000003

TPSA: 277.85

MolLogP: -6.915700000000009

Number of H-Donors: 11

Number of H-Acceptors: 16

RingCount: 4

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information