Molecule

64296-25-9

AlkaPlorer ID: AK076447

Synonym: None

IUPAC Name: [(3aS,4R,10aS)-2,6-diamino-10,10-dihydroxy-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)N3CCC(O)(O)[C@]23N1

InChI: InChI=1S/C10H17N7O7S/c11-6-14-5-4(3-24-8(18)16-25(21,22)23)13-7(12)17-2-1-9(19,20)10(5,17)15-6/h4-5,19-20H,1-3H2,(H2,12,13)(H,16,18)(H3,11,14,15)(H,21,22,23)/t4-,5-,10-/m0/s1

InChIKey: JKKCSFJSULZNDN-HGRQIUPRSA-N

Reference

Structures of Two Paralytic Shellfish Toxins, Gonyautoxins V and VI, Isolated from a Tropical Dinoflagellate,<i>Pyrodinium bahamense</i>var.<i>compressa</i>

PubChem CID: 49789073

CAS: 64296-25-9

LOTUS: LTS0073225

SuperNatural Ⅲ: SN0167812-03

NPASS: NPC156499

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Alexandrium tamarense	Alexandrium	Pyrocystaceae	Gonyaulacales	Dinophyceae	None	None	Eukaryota

Properties Information

Molecule Weight: 379.3550000000001

TPSA？: 220.19

MolLogP？: -3.9989599999999976

Number of H-Donors: 9

Number of H-Acceptors: 8

RingCount: 3

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Mus musculus	Mus musculus	Activity	None	None	10.1021/np800066r