Molecule

(2R,3R,4R,5R)-2-[(1R)-1,2-dihydroxyethyl]-5-(6-{[(2-hydroxyphenyl)methyl]amino}-2-(methylsulfanyl)purin-9-yl)oxolane-3,4-diol

AlkaPlorer ID: AK264543

Synonym: None

IUPAC Name: (2R,3R,4R,5R)-2-[(1R)-1,2-dihydroxyethyl]-5-[6-[(2-hydroxyphenyl)methylamino]-2-methylsulfanylpurin-9-yl]oxolane-3,4-diol

Structure

SMILES: CSC1=NC(NCC2=CC=CC=C2O)=C2N=CN([C@@H]3O[C@H]([C@H](O)CO)[C@H](O)[C@H]3O)C2=N1

InChI: InChI=1S/C19H23N5O6S/c1-31-19-22-16(20-6-9-4-2-3-5-10(9)26)12-17(23-19)24(8-21-12)18-14(29)13(28)15(30-18)11(27)7-25/h2-5,8,11,13-15,18,25-29H,6-7H2,1H3,(H,20,22,23)/t11-,13-,14-,15-,18-/m1/s1

InChIKey: IFUUHIRDBFGNJB-LWWONICKSA-N

Reference

PubChem CID: 129829071

SuperNatural Ⅲ: SN0144536-01

NPASS: NPC63777

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Centaurea napifolia	Centaurea	Asteraceae	Asterales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Hornschuchia citriodora	Hornschuchia	Annonaceae	Magnoliales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Rhizopogon pumilionus	Rhizopogon	Rhizopogonaceae	Boletales	Agaricomycetes	Basidiomycota	Fungi	Eukaryota
Zantedeschia aethiopica	Zantedeschia	Araceae	Alismatales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Berberis aquifolium	Berberis	Berberidaceae	Ranunculales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Knema attenuata	Knema	Myristicaceae	Magnoliales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Gmelina arborea	Gmelina	Lamiaceae	Lamiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Antitrogus consanguineus	Antitrogus	Scarabaeidae	Coleoptera	Insecta	Arthropoda	Metazoa	Eukaryota
Diplopteraster multipes	Diplopteraster	Pterasteridae	Velatida	Asteroidea	Echinodermata	Metazoa	Eukaryota

Properties Information

Molecule Weight: 449.48900000000015

TPSA？: 166.01

MolLogP？: -0.1617000000000001

Number of H-Donors: 6

Number of H-Acceptors: 12

RingCount: 4

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi