(Q82902933)

English

9-(2-Deoxy-5-O-phosphonopentofuranosyl)-N-(2,3,4-trihydroxy-7,12-dimethyl-1,2,3,4-tetrahydrotetraphen-1-yl)-9H-purin-6-amine

group of stereoisomers with the chemical formula C₃₀H₃₂N₅O₉P

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instance of

group of stereoisomers

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subclass of

chemical compound

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mass

637.1937642340001 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₃₀H₃₂N₅O₉P

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based on heuristic

inferred from SMILES

canonical SMILES

Cc1c2ccccc2c(C)c2c3c(ccc12)C(O)C(O)C(O)C3Nc1ncnc2c1ncn2C1CC(O)C(COP(=O)(O)O)O1

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based on heuristic

inferred from isomeric SMILES

isomeric SMILES

Cc1c2ccccc2c(C)c2c3c(ccc12)[C@H](O)[C@@H](O)[C@@H](O)[C@H]3Nc1ncnc2c1ncn2C1CC(O)C(COP(=O)(O)O)O1

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI

InChI=1S/C30H32N5O9P/c1-13-15-5-3-4-6-16(15)14(2)22-17(13)7-8-18-23(22)24(27(38)28(39)26(18)37)34-29-25-30(32-11-31-29)35(12-33-25)21-9-19(36)20(44-21)10-43-45(40,41)42/h3-8,11-12,19-21,24,26-28,36-39H,9-10H2,1-2H3,(H,31,32,34)(H2,40,41,42)/t19?,20?,21?,24-,26-,27-,28+/m0/s1

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InChIKey

ARNVYVLLJPJGJU-YVVQKPKDSA-N

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1 reference

26 December 2021

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DSSTOX compound identifier

DTXCID301356956

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(Q82902933)

9-(2-Deoxy-5-O-phosphonopentofuranosyl)-N-(2,3,4-trihydroxy-7,12-dimethyl-1,2,3,4-tetrahydrotetraphen-1-yl)-9H-purin-6-amine

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