Molecule

137138-03-5

AlkaPlorer ID: AK045799

Synonym: None

IUPAC Name: (2R,3R,4S,5S)-2-(6-aminopurin-9-yl)-5-(dimethylarsorylmethyl)oxolane-3,4-diol

Structure

SMILES: C[As](C)(=O)C[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O

InChI: InChI=1S/C12H18AsN5O4/c1-13(2,21)3-6-8(19)9(20)12(22-6)18-5-17-7-10(14)15-4-16-11(7)18/h4-6,8-9,12,19-20H,3H2,1-2H3,(H2,14,15,16)/t6-,8-,9-,12-/m1/s1

InChIKey: XYMACCGOWRMDES-WOUKDFQISA-N

Reference

Arsenic compounds from the kidney of the giant clam Tridacna maxima: isolation and identification of an arsenic-containing nucleoside

PubChem CID: 15667153

LOTUS: LTS0164487

SuperNatural Ⅲ: SN0443470-03

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Tridacna maxima	Tridacna	Cardiidae	Cardiida	Bivalvia	Mollusca	Metazoa	Eukaryota

Properties Information

Molecule Weight: 371.229

TPSA？: 136.38

MolLogP？: -0.3367000000000002

Number of H-Donors: 3

Number of H-Acceptors: 9

RingCount: 3

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi

Metabolism Information

AKRT ID	Reaction	Reaction Link ID
AKRT012674	C[As](C)O.C[S@@+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O>>C[As](C)(=O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O	RXN-22584