80173-30-4
AlkaPlorer ID: AK072121
Synonym: None
IUPAC Name: [(3aS,4R,9S,10aS)-2,6-diamino-10,10-dihydroxy-9-sulfooxy-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-4-yl]methoxycarbonylsulfamic acid
Structure
SMILES: N=C1N[C@H]2[C@H](COC(=O)NS(=O)(=O)O)NC(=N)N3C[C@H](OS(=O)(=O)O)C(O)(O)[C@]23N1
InChI: InChI=1S/C10H17N7O11S2/c11-6-14-5-3(2-27-8(18)16-29(21,22)23)13-7(12)17-1-4(28-30(24,25)26)10(19,20)9(5,17)15-6/h3-5,19-20H,1-2H2,(H2,12,13)(H,16,18)(H3,11,14,15)(H,21,22,23)(H,24,25,26)/t3-,4-,5-,9-/m0/s1
InChIKey: OKSSKVHGKYJNLL-LJRZAWCWSA-N
Reference
Paralytic shellfish poisons from Australian cyanobacterial blooms
PubChem CID: 49789086
CAS: 80226-62-6
LOTUS: LTS0179172
SuperNatural Ⅲ: SN0268158-02
NPASS: NPC185005
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: 475.4180000000002
TPSA？: 283.7899999999999
MolLogP？: -5.201059999999996
Number of H-Donors: 10
Number of H-Acceptors: 11
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|