172228-91-0
AlkaPlorer ID: AK064933
Synonym: '172339-07-0'
IUPAC Name: (1S,5R,6S,8R,9S,12R,13R)-3-amino-5,12,13-trihydroxy-8-methyl-10-oxa-2,4-diazatricyclo[7.3.1.01,6]tridec-3-en-11-one
Structure
SMILES: C[C@@H]1C[C@@H]2[C@@H](O)NC(=N)N[C@@]23[C@@H](O)C(=O)O[C@@H]1[C@@H]3O
InChI: InChI=1S/C11H17N3O5/c1-3-2-4-8(17)13-10(12)14-11(4)6(15)5(3)19-9(18)7(11)16/h3-8,15-17H,2H2,1H3,(H3,12,13,14)/t3-,4-,5+,6+,7+,8-,11+/m1/s1
InChIKey: XKPWNEDMIHIMHY-RZVYTGBFSA-N
Source
Properties Information
Molecule Weight: 271.273
TPSA？: 134.9
MolLogP？: -2.5256299999999983
Number of H-Donors: 6
Number of H-Acceptors: 6
RingCount: 3
Activities Information
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