O-Demethylpuromycin

AlkaPlorer ID: AK021265

Synonym: 'O-Demethylpuromycin'

IUPAC Name: 2-amino-N-[(2S,3S,4R,5R)-5-[6-(dimethylamino)purin-9-yl]-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-3-(4-hydroxyphenyl)propanamide

Structure

SMILES: CN(C)C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](N=C(O)C(N)CC2=CC=C(O)C=C2)[C@H]1O

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InChI: InChI=1S/C21H27N7O5/c1-27(2)18-16-19(24-9-23-18)28(10-25-16)21-17(31)15(14(8-29)33-21)26-20(32)13(22)7-11-3-5-12(30)6-4-11/h3-6,9-10,13-15,17,21,29-31H,7-8,22H2,1-2H3,(H,26,32)/t13?,14-,15-,17-,21-/m1/s1

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InChIKey: NVZJDPXVSWFFJJ-CBNVFQGSSA-N

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Source

Properties Information

Molecule Weight: 457.49100000000016

TPSA: 175.37

MolLogP: -0.2563999999999985

Number of H-Donors: 5

Number of H-Acceptors: 11

RingCount: 4

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information