Lyngbya wollei toxin 6

Substructure search Find similar structures

Basic information

CAS: 200816-98-4
Standard SMILES: CC(=O)OC[C@@H]1N=C(N)N2CC[C@@H](O)[C@@]23NC(N)=N[C@@H]13
InChIKey: KCWXJSKCJDCDBC-MCHASIABSA-N
Molecular formula: C11H18N6O3
Average molar mass: 282.3 g/mol
Monoisotopic mass: 282.14403846

Overview

[(3aS,4R,10R,10aS)-2,6-diamino-10-hydroxy-1,3a,4,8,9,10-hexahydropyrrolo[1,2-c]purin-4-yl]methyl acetate is an organic heterotricyclic compound. It has a role as a marine metabolite.

Names & identifiers

Preferred name: Lyngbya wollei toxin 6
IUPAC: [(3aS,4R,10R,10aS)-2,6-diamino-10-hydroxy-1,3a,4,8,9,10-hexahydropyrrolo[1,2-c]purin-4-yl]methyl acetate

Names & synonyms

Lyngbya wollei toxin 6[(3aS,4R,10R,10aS)-2,6-diamino-10-hydroxy-1,3a,4,8,9,10-hexahydropyrrolo[1,2-c]purin-4-yl]methyl acetate((3aS,4R,10R,10aS)-2,6-diamino-10-hydroxy-1,3a,4,8,9,10-hexahydropyrrolo(1,2-c)purin-4-yl)methyl acetateRefChem:351441Lynbyawolleitoxin-6CHEBI:212463DTXSID00133564013-O-Acetyl-12beta-deoxydecarbamoylsaxitoxin[(3aS,4R,10R,10aS)-2,6-Diamino-10-hydroxy-3a,4,9,10-tetrahydro-1H,8H-pyrrolo[1,2-c]purin-4-yl]methyl acetate200816-98-4

Database identifiers

CAS: 200816-98-4
PubChem CID: 101554258
DTXSID: DTXSID001335640
ChEBI: CHEBI:212463
Nikkaji: J3.030.663E

Properties

Computed structural properties

XLogP: -3.3
Topological polar surface area: 139 Å²
Hydrogen bond donors: 4
Hydrogen bond acceptors: 5
Rotatable bonds: 3
Heavy atoms: 20
Formal charge: 0
Complexity: 506

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…