(2R,3S,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)-1',4'-dihydrospiro[oxolane-2,3'-pyrrolo[2,1-c][1,4]oxazine]-6'-carbaldehyde
AlkaPlorer ID: AK256189
Synonym: None
IUPAC Name: (3R,3'S,4'R,5'S)-3',4'-dihydroxy-5'-(hydroxymethyl)spiro[1,4-dihydropyrrolo[2,1-c][1,4]oxazine-3,2'-oxolane]-6-carbaldehyde
Structure
SMILES: O=CC1=CC=C2CO[C@]3(CN12)O[C@@H](CO)[C@H](O)[C@@H]3O
InChI: InChI=1S/C12H15NO6/c14-3-7-1-2-8-5-18-12(6-13(7)8)11(17)10(16)9(4-15)19-12/h1-3,9-11,15-17H,4-6H2/t9-,10-,11-,12+/m0/s1
InChIKey: INPLRAWJFQTIID-FIQHERPVSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Acorus calamus | Acorus | Acoraceae | Acorales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 269.253
TPSA？: 101.15
MolLogP？: -1.3600000000000003
Number of H-Donors: 3
Number of H-Acceptors: 7
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|