(2R,3S,5R)-5-(6-{[(2E)-4-hydroxy-3-methylbut-2-en-1-yl]amino}purin-9-yl)-2-(hydroxymethyl)oxolan-3-ol

AlkaPlorer ID: AK539661

Synonym: None

IUPAC Name: 2-(hydroxymethyl)-5-[6-[(4-hydroxy-3-methylbut-2-enyl)amino]purin-9-yl]oxolan-3-ol

Structure

SMILES: CC(=CCNC1=NC=NC2=C1N=CN2C1CC(O)C(CO)O1)CO

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InChI: InChI=1S/C15H21N5O4/c1-9(5-21)2-3-16-14-13-15(18-7-17-14)20(8-19-13)12-4-10(23)11(6-22)24-12/h2,7-8,10-12,21-23H,3-6H2,1H3,(H,16,17,18)

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InChIKey: UQHKFADEQIVWID-UHFFFAOYSA-N

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Properties Information

Molecule Weight: 335.36400000000015

TPSA: 125.55

MolLogP: -0.1825000000000001

Number of H-Donors: 4

Number of H-Acceptors: 9

RingCount: 3

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information