(Q82590031)

English

1-(2,5-Anhydro-4-{[bis(4-methoxyphenyl)(phenyl)methoxy]methyl}-3-O-{(2-cyanoethoxy)[di(propan-2-yl)amino]phosphanyl}-6-deoxy-alpha-L-mannofuranosyl)-5-methylpyrimidine-2,4(1H,3H)-dione

group of stereoisomers with the chemical formula C₄₂H₅₁N₄O₉P

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Statements

instance of

group of stereoisomers

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subclass of

chemical compound

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mass

786.339365842 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₄₂H₅₁N₄O₉P

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based on heuristic

inferred from SMILES

canonical SMILES

COc1ccc(C(OCC23OC(n4cc(C)c(O)nc4=O)C(OC2C)C3OP(OCCC#N)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

COc1ccc(C(OC[C@]23O[C@@H](n4cc(C)c(O)nc4=O)[C@H](O[C@H]2C)[C@@H]3OP(OCCC#N)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI

InChI=1S/C42H51N4O9P/c1-27(2)46(28(3)4)56(52-24-12-23-43)55-37-36-39(45-25-29(5)38(47)44-40(45)48)54-41(37,30(6)53-36)26-51-42(31-13-10-9-11-14-31,32-15-19-34(49-7)20-16-32)33-17-21-35(50-8)22-18-33/h9-11,13-22,25,27-28,30,36-37,39H,12,24,26H2,1-8H3,(H,44,47,48)/t30-,36+,37-,39+,41-,56?/m0/s1

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InChIKey

SEFBXGXPINACNI-IMMRMUFKSA-N

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1 reference

26 December 2021

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DSSTOX compound identifier

DTXCID20620224

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(Q82590031)

1-(2,5-Anhydro-4-{[bis(4-methoxyphenyl)(phenyl)methoxy]methyl}-3-O-{(2-cyanoethoxy)[di(propan-2-yl)amino]phosphanyl}-6-deoxy-alpha-L-mannofuranosyl)-5-methylpyrimidine-2,4(1H,3H)-dione

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