2-Hydroxy-2-phenylacetonitrile; (±)-form, O-β-D-Glucopyranoside
AlkaPlorer ID: AK301778
Synonym: Prulaurasin
IUPAC Name: 2-phenyl-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyacetonitrile
Structure
SMILES: N#CC(OC1OC(CO)C(O)C(O)C1O)C1=CC=CC=C1
InChI: InChI=1S/C14H17NO6/c15-6-9(8-4-2-1-3-5-8)20-14-13(19)12(18)11(17)10(7-16)21-14/h1-5,9-14,16-19H,7H2
InChIKey: ZKSZEJFBGODIJW-UHFFFAOYSA-N
Reference
PubChem CID: 576072
CAS: 99-19-4
LOTUS: LTS0258953
NPASS: NPC319713
COCONUT: CNP0232898.12
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Cotoneaster | Rosaceae | Rosales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 295.291
TPSA？: 123.17000000000002
MolLogP？: -0.9322200000000004
Number of H-Donors: 4
Number of H-Acceptors: 7
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|