Molecule

(3R,4S,5R)-2-[(2S,3S,4R,5R)-2-(6-aminopurin-9-yl)-3,4-dihydroxy-5-(hydroxymethyl)-2-methylsulfanyloxolan-3-yl]oxane-3,4,5-triol

AlkaPlorer ID: AK511905

Synonym: None

IUPAC Name: (3R,4S,5R)-2-[(2S,3S,4R,5R)-2-(6-aminopurin-9-yl)-3,4-dihydroxy-5-(hydroxymethyl)-2-methylsulfanyloxolan-3-yl]oxane-3,4,5-triol

Structure

SMILES: CS[C@@]1(N2C=NC3=C(N)N=CN=C32)O[C@H](CO)[C@@H](O)[C@]1(O)C1OC[C@@H](O)[C@H](O)[C@H]1O

InChI: InChI=1S/C16H23N5O8S/c1-30-16(21-5-20-8-13(17)18-4-19-14(8)21)15(27,11(26)7(2-22)29-16)12-10(25)9(24)6(23)3-28-12/h4-7,9-12,22-27H,2-3H2,1H3,(H2,17,18,19)/t6-,7-,9+,10-,11-,12?,15+,16+/m1/s1

InChIKey: RJUVLTJPYLEWDV-VDKUQWLXSA-N

Reference

Antimicrobial and antiviral activity of xylosyl-methylthio-adenosine, a naturally occurring analogue of methylthio-adenosine fromDoris verrucosa

PubChem CID: 163190686

LOTUS: LTS0169692

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Doris verrucosa	Doris	Dorididae	Nudibranchia	Gastropoda	Mollusca	Metazoa	Eukaryota

Properties Information

Molecule Weight: 445.4540000000001

TPSA？: 209.46

MolLogP？: -3.6535999999999977

Number of H-Donors: 7

Number of H-Acceptors: 14

RingCount: 4

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi