(Q82879962)

English

9-(2-Deoxypentofuranosyl)-N-(2,3,4-trihydroxy-1,2,3,4-tetrahydrobenzo[c]phenanthren-1-yl)-9H-purin-6-amine

group of stereoisomers with the chemical formula C₂₈H₂₇N₅O₆

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instance of

group of stereoisomers

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subclass of

chemical compound

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mass

529.1961335839999 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₂₈H₂₇N₅O₆

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based on heuristic

inferred from SMILES

canonical SMILES

OCC1OC(n2cnc3c(NC4c5c(ccc6ccc7ccccc7c56)C(O)C(O)C4O)ncnc32)CC1O

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

OC[C@H]1O[C@@H](n2cnc3c(NC4c5c(ccc6ccc7ccccc7c56)[C@H](O)[C@@H](O)[C@@H]4O)ncnc32)C[C@@H]1O

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI

InChI=1S/C28H27N5O6/c34-10-18-17(35)9-19(39-18)33-12-31-23-27(29-11-30-28(23)33)32-22-21-16(24(36)26(38)25(22)37)8-7-14-6-5-13-3-1-2-4-15(13)20(14)21/h1-8,11-12,17-19,22,24-26,34-38H,9-10H2,(H,29,30,32)/t17-,18+,19+,22?,24-,25+,26+/m0/s1

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InChIKey

KZCQTFDJSLTNCI-XFSSJDBLSA-N

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1 reference

26 December 2021

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DSSTOX compound identifier

DTXCID901339249

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(Q82879962)

9-(2-Deoxypentofuranosyl)-N-(2,3,4-trihydroxy-1,2,3,4-tetrahydrobenzo[c]phenanthren-1-yl)-9H-purin-6-amine

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