2-Hydroxy-3-hydroxymethyl-3-butenoic acid; (S)-form, Nitrile, 2-O-β-D-glucopyranoside
AlkaPlorer ID: AK301189
Synonym: Cardiospermin
IUPAC Name: 3-(hydroxymethyl)-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybut-3-enenitrile
Structure
SMILES: C=C(CO)C(C#N)OC1OC(CO)C(O)C(O)C1O
InChI: InChI=1S/C11H17NO7/c1-5(3-13)6(2-12)18-11-10(17)9(16)8(15)7(4-14)19-11/h6-11,13-17H,1,3-4H2
InChIKey: MQTLCYHUTVTHFO-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Cardiospermum | Sapindaceae | Sapindales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 275.257
TPSA？: 143.4
MolLogP？: -2.756419999999999
Number of H-Donors: 5
Number of H-Acceptors: 8
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|