validamine

CAS: 32780-32-8

Formula: C8H17NO4

SMILES: COC[C@H]1C[C@H](N)[C@H](O)[C@@H](O)[C@@H]1O

IUPAC: (1R,2S,3S,4S,6R)-4-amino-6-(methoxymethyl)cyclohexane-1,2,3-triol

InChI: InChI=1S/C8H17NO4/c1-13-3-4-2-5(9)7(11)8(12)6(4)10/h4-8,10-12H,2-3,9H2,1H3/t4-,5+,6+,7+,8+/m1/s1

Composition: C (50.25%), H (8.96%), N (7.32%), O (33.47%)

Molar Mass: 191.227

Atom Count: 30

Heavy Atom Count: 13