(2E)-2-({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)but-2-enenitrile
AlkaPlorer ID: AK537856
Synonym: None
IUPAC Name: 2-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]but-2-enenitrile
Structure
SMILES: CC=C(C#N)COC1OC(CO)C(O)C(O)C1O
InChI: InChI=1S/C11H17NO6/c1-2-6(3-12)5-17-11-10(16)9(15)8(14)7(4-13)18-11/h2,7-11,13-16H,4-5H2,1H3
InChIKey: UMDGSPMIRLGQIM-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Rhodiola sacra | Rhodiola | Crassulaceae | Saxifragales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 259.258
TPSA？: 123.17000000000002
MolLogP？: -1.7272200000000006
Number of H-Donors: 4
Number of H-Acceptors: 7
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|