2-(hydroxymethyl)-6-{[(2E)-2-methyl-4-[(7H-purin-6-yl)amino]but-2-en-1-yl]oxy}oxane-3,4,5-triol

AlkaPlorer ID: AK541519

Synonym: None

IUPAC Name: 2-(hydroxymethyl)-6-[2-methyl-4-(7H-purin-6-ylamino)but-2-enoxy]oxane-3,4,5-triol

Structure

SMILES: CC(=CCNC1=C2N=CN=C2NC=N1)COC1OC(CO)C(O)C(O)C1O

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InChI: InChI=1S/C16H23N5O6/c1-8(2-3-17-14-10-15(19-6-18-10)21-7-20-14)5-26-16-13(25)12(24)11(23)9(4-22)27-16/h2,6-7,9,11-13,16,22-25H,3-5H2,1H3,(H2,17,18,19,20,21)

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InChIKey: UUPDCCPAOMDMPT-UHFFFAOYSA-N

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Source

Properties Information

Molecule Weight: 381.38900000000007

TPSA: 165.87

MolLogP: -1.5207999999999993

Number of H-Donors: 6

Number of H-Acceptors: 10

RingCount: 3

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information