methyl (2R)-2-[(1R,2S)-1-[(S)-cyano(phenyl)methoxy]-2-hydroxy-3-methoxy-3-oxopropoxy]-3-hydroxypropanoate
AlkaPlorer ID: AK088261
Synonym: None
IUPAC Name: methyl (2S,3R)-3-[(S)-cyano(phenyl)methoxy]-2-hydroxy-3-[(2R)-3-hydroxy-1-methoxy-1-oxopropan-2-yl]oxypropanoate
Structure
SMILES: COC(=O)[C@@H](O)[C@@H](O[C@H](CO)C(=O)OC)O[C@H](C#N)C1=CC=CC=C1
InChI: InChI=1S/C16H19NO8/c1-22-14(20)12(9-18)25-16(13(19)15(21)23-2)24-11(8-17)10-6-4-3-5-7-10/h3-7,11-13,16,18-19H,9H2,1-2H3/t11-,12-,13-,16-/m1/s1
InChIKey: BQIOAYLGMWMRRP-BRXULGCHSA-N
Reference
Degraded cyanogenic glucosides from Sambucus nigra
PubChem CID: 10570045
LOTUS: LTS0202313
SuperNatural Ⅲ: SN0032577-01
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Sambucus nigra | Sambucus | Adoxaceae | Dipsacales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 353.32700000000006
TPSA？: 135.31
MolLogP？: -0.3216199999999998
Number of H-Donors: 2
Number of H-Acceptors: 9
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|