(Q82598253)

English

2-Amino-8-(benzyloxy)-9-[(3xi)-2-deoxy-beta-D-glycero-pentofuranosyl]-3,9-dihydro-6H-purin-6-one

chemical compound

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instance of

type of chemical entity

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subclass of

chemical compound

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mass

373.13861870799997 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₁₇H₁₉N₅O₅

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

N=c1nc(O)c2nc(OCc3ccccc3)n(C3CC(O)C(CO)O3)c2[nH]1

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

N=c1nc(O)c2nc(OCc3ccccc3)n([C@H]3CC(O)[C@@H](CO)O3)c2[nH]1

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI

InChI=1S/C17H19N5O5/c18-16-20-14-13(15(25)21-16)19-17(26-8-9-4-2-1-3-5-9)22(14)12-6-10(24)11(7-23)27-12/h1-5,10-12,23-24H,6-8H2,(H3,18,20,21,25)/t10?,11-,12-/m1/s1

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InChIKey

AMEUNRVTNJBDJN-PQDIPPBSSA-N

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2 references

26 December 2021

matched by identifier from

InChIKey

AMEUNRVTNJBDJN-PQDIPPBSSA-N

1 reference

1 reference

matched by identifier from

InChIKey

AMEUNRVTNJBDJN-PQDIPPBSSA-N

DSSTOX compound identifier

DTXCID90626430

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(Q82598253)

2-Amino-8-(benzyloxy)-9-[(3xi)-2-deoxy-beta-D-glycero-pentofuranosyl]-3,9-dihydro-6H-purin-6-one

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