60508-89-6
AlkaPlorer ID: AK035369
Synonym: None
IUPAC Name: None
Structure
SMILES: N=C1N[C@@H]2[C@H](COC(=N)[O-])NC(=N)N3C[C@@H](OS(=O)(=O)O)C(O)(O)[C@@]23N1
InChI: InChI=1S/C10H17N7O8S/c11-6-15-5-3(2-24-8(13)18)14-7(12)17-1-4(25-26(21,22)23)10(19,20)9(5,17)16-6/h3-5,19-20H,1-2H2,(H2,12,14)(H2,13,18)(H3,11,15,16)(H,21,22,23)/p-1/t3-,4+,5+,9+/m0/s1
InChIKey: ARSXTTJGWGCRRR-AFCWFEKTSA-M
Reference
NPASS: NPC96974
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Gentiana verna | Gentiana | Gentianaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Dianthus chinensis | Dianthus | Caryophyllaceae | Caryophyllales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 394.3460000000001
TPSA？: 247.23
MolLogP？: -5.418389999999996
Number of H-Donors: 9
Number of H-Acceptors: 10
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|