D-glycero-D-galacto-Non-2-enonic acid, 5-(acetylamino)-4-[(aminoiminomethyl)amino]-2,6-anhydro-3,4,5-trideoxy-, hydrate (5:1)

CAS Registry Number®

171094-50-1
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CAS Name

D-glycero-D-galacto-Non-2-enonic acid, 5-(acetylamino)-4-[(aminoiminomethyl)amino]-2,6-anhydro-3,4,5-trideoxy-, hydrate (5:1)

Molecular Formula

C12H20N4O7.1/5H2O

Cite this Page

D-glycero-D-galacto-Non-2-enonic acid, 5-(acetylamino)-4-[(aminoiminomethyl)amino]-2,6-anhydro-3,4,5-trideoxy-, hydrate (5:1).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=171094-50-1 (retrieved 2024-08-20) (CAS RN: 171094-50-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C12H20N4O7.H2O/c1-4(18)15-8-5(16-12(13)14)2-7(11(21)22)23-10(8)9(20)6(19)3-17;/h2,5-6,8-10,17,19-20H,3H2,1H3,(H,15,18)(H,21,22)(H4,13,14,16);1H2/t5-,6+,8+,9+,10+;/m0./s1

InChIKey

InChIKey=OELRRAURPSTFEX-VCFRRRQNSA-N

SMILES

N(C(C)=O)[C@H]1[C@]([C@@H]([C@@H](CO)O)O)(OC(C(O)=O)=C[C@@H]1NC(=N)N)[H].O

Canonical SMILES

O=C(O)C=1OC(C(O)C(O)CO)C(NC(=O)C)C(C1)NC(=N)N.O

Other Names for this Substance

  • D-glycero-D-galacto-Non-2-enonic acid, 5-(acetylamino)-4-[(aminoiminomethyl)amino]-2,6-anhydro-3,4,5-trideoxy-, hydrate (5:1)