(2S,3R)-3-(hydroxymethyl)-3-({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxirane-2-carbonitrile
AlkaPlorer ID: AK251577
Synonym: None
IUPAC Name: (2S,3R)-3-(hydroxymethyl)-3-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxirane-2-carbonitrile
Structure
SMILES: N#C[C@@H]1O[C@]1(CO)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChI: InChI=1S/C11H17NO8/c12-1-6-11(3-14,20-6)4-18-10-9(17)8(16)7(15)5(2-13)19-10/h5-10,13-17H,2-4H2/t5-,6+,7-,8+,9-,10-,11-/m1/s1
InChIKey: AGBINTPCVYIOJW-NJNULVQQSA-N
Reference
Leucine-derived nitrile glucosides in the rosaceae and their systematic significance
PubChem CID: 101691172
LOTUS: LTS0036496
SuperNatural Ⅲ: SN0004698-01
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Rhodotypos scandens | Rhodotypos | Rosaceae | Rosales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 291.25600000000003
TPSA？: 155.93
MolLogP？: -3.54362
Number of H-Donors: 5
Number of H-Acceptors: 9
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|