Basic information
- CAS
60508-89-6- Standard SMILES
NC(=O)OC[C@@H]1N=C(N)N2C[C@@H](OS(=O)(=O)O)C(O)(O)[C@]23NC(N)=N[C@@H]13- InChIKey
ARSXTTJGWGCRRR-PGRQXVTRSA-N- Molecular formula
- C10H17N7O8S
- Average molar mass
- 395.35 g/mol
- Monoisotopic mass
- 395.0859317
Names & identifiers
- Preferred name
- [(3aS,4R,9R,10aR)-2,6-Diamino-10,10-dihydroxy-9-(sulfooxy)-3a,4,9,10-tetrahydro-1H,8H-pyrrolo[1,2-c]purin-4-yl]methyl carbamate
- IUPAC
- [(3aS,4R,9R,10aR)-2,6-diamino-10,10-dihydroxy-9-sulfooxy-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-4-yl]methyl carbamate
- English name
- gonyautoxin II
- Molecular formula
- C10H17N7O8S
- Molecular weight
- 395.35
Names & synonyms
[(3aS,4R,9R,10aR)-2,6-Diamino-10,10-dihydroxy-9-(sulfooxy)-3a,4,9,10-tetrahydro-1H,8H-pyrrolo[1,2-c]purin-4-yl]methyl carbamateGTX2GONYAUTOXIN2gonyautoxin IIGonyautoxin 2&311α-hydroxysaxitoxinGonyautoxin-2 and -3ARSXTTJGWGCRRR-XXKOCQOQSA-NGonyautoxin 2 DISCONTINUED1H,10H-Pyrrolo[1,2-c]purine-9,10,10-triol, 2,6-diamino-4-[[(aminocarbonyl)oxy]methyl]-3a,4,8,9-tetrahydro-, 9-(hydrogen sulfate), (3aS,4R,9R,10aS)-
Database identifiers
- CAS
60508-89-6- PubChem CID
- 165367993
- DTXSID
DTXSID90880095
Properties
Computed structural properties
- XLogP
- -6
- Topological polar surface area
- 257 Ų
- Hydrogen bond donors
- 7
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 792
Physicochemical properties
- Density
- 2.52 · 2.52±0.1 g/cm3(Predicted)
- pka
- -3.88 · -3.88±0.18(Predicted)
- FDA UNII
- 77 Z3NY6Z · YU77Z3NY6Z
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 300 · H300-H310
- Precautionary statements
- 264 · P264-P270-P301+P310-P321-P330-P405-P501-P262-P264-P270-P280-P302+P350-P310-P322-P361-P363-P405-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- Hazard statements
- H300-H310
- Precautionary statements
- P264-P270-P301+P310-P321-P330-P405-P501-P262-P264-P270-P280-P302+P350-P310-P322-P361-P363-P405-P501
Chemistry & industry
Applications
UsesA metabolite of Saxitoxin analog as a paralytic shellfish toxin.
Suppliers8 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
凯试(上海)科技有限公司021-50135380 · [email protected]
四川省维克奇生物科技有限公司028-81700200 18116577057 · [email protected]
广东翁江化学试剂有限公司0751-2886766 13927870850 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
四川恒诚致远生物科技有限公司18113192475 18113192475 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Additional notes
DefinitionChEBI: Gonyautoxin 2 is an organic heterotricyclic compound and a paralytic shellfish toxin. It has a role as a marine metabolite.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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