Molecule

[(4R,9S,10aS,10bS)-4-[(carbamoyloxy)methyl]-10,10-dihydroxy-2,6-diimino-hexahydro-1H-pyrrolo[1,2-c]purin-9-yl]oxidanesulfonic acid

AlkaPlorer ID: AK335955

Synonym: None

IUPAC Name: [(3aR,9R,10aS)-2,6-diamino-10,10-dihydroxy-9-sulfooxy-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-4-yl]methyl carbamate

Structure

SMILES: N=C1N[C@@H]2C(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)/t3?,4-,5-,9+/m1/s1

InChIKey: ARSXTTJGWGCRRR-VCHVHOAOSA-N

Reference

Separation of tetrodotoxin and paralytic shellfish poisons by high-performance liquid chromatography with a fluorometric detection using o-phthalaldehyde

PubChem CID: 131700595

LOTUS: LTS0160282

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Nassarius conoidalis	Nassarius	Nassariidae	Neogastropoda	Gastropoda	Mollusca	Metazoa	Eukaryota

Properties Information

Molecule Weight: 395.3540000000001

TPSA？: 244.4

MolLogP？: -4.220689999999997

Number of H-Donors: 10

Number of H-Acceptors: 9

RingCount: 3

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi