Catalog Number:
AG0050BW
Chemical Name:
Beta-d-glucopyranosyl nitromethane
CAS Number:
81846-60-8
Molecular Formula:
C7H13NO7
Molecular Weight:
223.1806
MDL Number:
MFCD08703736
IUPAC Name:
(2R,3S,4R,5R,6S)-2-(hydroxymethyl)-6-(nitromethyl)oxane-3,4,5-triol
InChI:
InChI=1S/C7H13NO7/c9-2-4-6(11)7(12)5(10)3(15-4)1-8(13)14/h3-7,9-12H,1-2H2/t3-,4+,5-,6+,7+/m0/s1
InChI Key:
CNILFIXWGGSLAQ-PJEQPVAWSA-N
SMILES:
OC[C@H]1O[C@@H](C[N+](=O)[O-])[C@@H]([C@H]([C@@H]1O)O)O
