Glucose 3-nitropropanoates; 1,4,6-Tris-O-(3-nitropropanoyl)-β-D-glucopyranose
AlkaPlorer ID: AK299336
Synonym: Corynocarpin
IUPAC Name: [4,5-dihydroxy-3,6-bis(3-nitropropanoyloxy)oxan-2-yl]methyl 3-nitropropanoate
Structure
SMILES: O=C(CC[N+](=O)[O-])OCC1OC(OC(=O)CC[N+](=O)[O-])C(O)C(O)C1OC(=O)CC[N+](=O)[O-]
InChI: InChI=1S/C15H21N3O15/c19-9(1-4-16(24)25)30-7-8-14(32-10(20)2-5-17(26)27)12(22)13(23)15(31-8)33-11(21)3-6-18(28)29/h8,12-15,22-23H,1-7H2
InChIKey: GYHRQRFMWSVZDC-UHFFFAOYSA-N
Reference
CAS: 1391-18-0
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Astragalus canadensis | Astragalus | Fabaceae | Fabales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Corynocarpus laevigatus | Corynocarpus | Corynocarpaceae | Cucurbitales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 483.3390000000002
TPSA？: 258.00999999999993
MolLogP？: -2.568299999999996
Number of H-Donors: 2
Number of H-Acceptors: 15
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|