2-(Hydroxymethyl)butanoic acid; (ξ)-form, Nitrile, O-β-D-glucopyranoside
AlkaPlorer ID: AK301436
Synonym: Supinanitriloside A
IUPAC Name: 2-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]butanenitrile
Structure
SMILES: CCC(C#N)COC1OC(CO)C(O)C(O)C1O
InChI: InChI=1S/C11H19NO6/c1-2-6(3-12)5-17-11-10(16)9(15)8(14)7(4-13)18-11/h6-11,13-16H,2,4-5H2,1H3
InChIKey: YBXDDSPUDXLZCA-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Euphorbia supina | Euphorbia | Euphorbiaceae | Malpighiales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 261.274
TPSA？: 123.17000000000002
MolLogP？: -1.6473199999999997
Number of H-Donors: 4
Number of H-Acceptors: 7
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|