(2S,3S,4R,5R,6S)-2-[(2R)-4-({9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl}amino)-2-methylbutoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

AlkaPlorer ID: AK208148

Synonym: None

IUPAC Name: (2S,3S,4R,5R,6S)-2-[(2R)-4-[[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]amino]-2-methylbutoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

Structure

SMILES: C[C@H](CCNC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)CO[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O

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InChI: InChI=1S/C21H33N5O10/c1-9(6-34-21-17(33)15(31)13(29)11(5-28)36-21)2-3-22-18-12-19(24-7-23-18)26(8-25-12)20-16(32)14(30)10(4-27)35-20/h7-11,13-17,20-21,27-33H,2-6H2,1H3,(H,22,23,24)/t9-,10-,11+,13+,14-,15-,16-,17+,20-,21+/m1/s1

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InChIKey: OLCHLONPNZLUBP-CRXZMZARSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Populus alba Populus Salicaceae Malpighiales Magnoliopsida Streptophyta Viridiplantae Eukaryota

Properties Information

Molecule Weight: 515.5200000000002

TPSA: 224.92999999999995

MolLogP: -3.3075999999999968

Number of H-Donors: 8

Number of H-Acceptors: 15

RingCount: 4

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information