[(4R,9R,10aS,10bS)-2,6-diamino-10,10-dihydroxy-4-(hydroxymethyl)-1H,4H,8H,9H,10bH-pyrrolo[1,2-c]purin-9-yl]oxidanesulfonic acid
AlkaPlorer ID: AK332439
Synonym: None
IUPAC Name: [(3aS,4R,10aS)-2,6-diamino-10,10-dihydroxy-4-(hydroxymethyl)-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-9-yl] hydrogen sulfate
Structure
SMILES: N=C1N[C@H]2[C@H](CO)NC(=N)N3CC(OS(=O)(=O)O)C(O)(O)[C@]23N1
InChI: InChI=1S/C9H16N6O7S/c10-6-13-5-3(2-16)12-7(11)15-1-4(22-23(19,20)21)9(17,18)8(5,15)14-6/h3-5,16-18H,1-2H2,(H2,11,12)(H3,10,13,14)(H,19,20,21)/t3-,4?,5-,8-/m0/s1
InChIKey: AJLCXXKDNUGKKH-LIIKNNTCSA-N
Reference
New saxitoxin analogues from the freshwater filamentous cyanobacterium<i>Lyngbya wollei</i>
PubChem CID: 49789095
CAS: 87038-53-7
LOTUS: LTS0118424
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | None | Gymnodiniaceae | Gymnodiniales | Dinophyceae | None | None | Eukaryota |
Properties Information
Molecule Weight: 352.32900000000006
TPSA？: 211.32
MolLogP？: -4.737759999999996
Number of H-Donors: 9
Number of H-Acceptors: 8
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|