2-Hydroxy-3-hydroxymethyl-3-butenoic acid; (S)-form, Nitrile, 5-benzoyl, 2-O-β-D-glucopyranoside
AlkaPlorer ID: AK301188
Synonym: Cardiospermin 5-benzoate
IUPAC Name: None
Structure
SMILES: C=C(COC(=O)C1=CC=CC=C1)C(C#N)OC1OC(CO)C(O)C(O)C1O
InChI: InChI=1S/C18H21NO8/c1-10(9-25-17(24)11-5-3-2-4-6-11)12(7-19)26-18-16(23)15(22)14(21)13(8-20)27-18/h2-6,12-16,18,20-23H,1,8-9H2
InChIKey: TZNASPTYTGRMSE-UHFFFAOYSA-N
Reference
CAS: 2122789-51-7
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Sorbaria sorbifolia | Sorbaria | Rosaceae | Rosales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 379.36500000000007
TPSA？: 149.47
MolLogP？: -0.8917200000000003
Number of H-Donors: 4
Number of H-Acceptors: 9
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|