Acetonitrile, [(2S,3S,4S,6R)-3-(α-D-glucopyranosyloxy)-6-(β-D-glucopyranosyloxy)-2,4-dihydroxycyclohexylidene]-, (2Z)-
CAS Registry Number®
370068-00-1
CAS Name
Acetonitrile, [(2S,3S,4S,6R)-3-(α-D-glucopyranosyloxy)-6-(β-D-glucopyranosyloxy)-2,4-dihydroxycyclohexylidene]-, (2Z)-Molecular Formula
C20H31NO14Molecular Mass
509.46Cite this Page
Acetonitrile, [(2S,3S,4S,6R)-3-(α-D-glucopyranosyloxy)-6-(β-D-glucopyranosyloxy)-2,4-dihydroxycyclohexylidene]-, (2Z)-. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=370068-00-1 (retrieved ) (CAS RN: 370068-00-1). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C20H31NO14/c21-2-1-6-8(32-19-16(30)14(28)12(26)9(4-22)33-19)3-7(24)18(11(6)25)35-20-17(31)15(29)13(27)10(5-23)34-20/h1,7-20,22-31H,3-5H2/b6-1+/t7-,8+,9+,10+,11-,12+,13+,14-,15-,16+,17+,18-,19+,20+/m0/s1
InChIKey
InChIKey=DMPTXOBZQYLBEX-YJKHFKKASA-N
SMILES
O([C@H]1/C(=C\C#N)/[C@H](O)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)C1)[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O
Canonical SMILES
N#CC=C1C(O)C(OC2OC(CO)C(O)C(O)C2O)C(O)CC1OC3OC(CO)C(O)C(O)C3O
Other Names for this Substance
- Acetonitrile, [(2S,3S,4S,6R)-3-(α-D-glucopyranosyloxy)-6-(β-D-glucopyranosyloxy)-2,4-dihydroxycyclohexylidene]-, (2Z)-