(2E)-3-(methylsulfanyl)-N-(2-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}ethyl)prop-2-enamide
AlkaPlorer ID: AK121783
Synonym: None
IUPAC Name: (E)-3-methylsulfanyl-N-[2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]prop-2-enamide
Structure
SMILES: CS/C=C/C(=O)NCCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChI: InChI=1S/C12H21NO7S/c1-21-5-2-8(15)13-3-4-19-12-11(18)10(17)9(16)7(6-14)20-12/h2,5,7,9-12,14,16-18H,3-4,6H2,1H3,(H,13,15)/b5-2+/t7-,9-,10+,11-,12-/m1/s1
InChIKey: FISKBHZVUFLWDZ-IYYAVIMFSA-N
Reference
Phenylacetic acid derivatives and a thioamide glycoside fromEntada phaseoloides
PubChem CID: 101616680
LOTUS: LTS0109166
SuperNatural Ⅲ: SN0086828-03
NPASS: NPC262027
Source
Properties Information
Molecule Weight: 323.367
TPSA？: 128.48000000000002
MolLogP？: -2.204199999999998
Number of H-Donors: 5
Number of H-Acceptors: 8
RingCount: 1
Activities Information
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