(Q82431423)

English

N-Benzoyl-5'-O-[bis(4-methoxyphenyl)(phenyl)methyl]-3'-O-{(2-cyanoethoxy)[di(propan-2-yl)amino]phosphanyl}-2'-O-methylcytidine

group of stereoisomers with the chemical formula C₄₇H₅₄N₅O₉P

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Statements

instance of

group of stereoisomers

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subclass of

chemical compound

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mass

863.365914938 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₄₇H₅₄N₅O₉P

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

COc1ccc(C(OCC2OC(n3ccc(=NC(=O)c4ccccc4)nc3O)C(OC)C2OP(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@H]2O[C@@H](n3ccc(=NC(=O)c4ccccc4)nc3O)[C@H](OC)[C@@H]2OP(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/C47H54N5O9P/c1-32(2)52(33(3)4)62(59-30-14-28-48)61-42-40(60-45(43(42)57-7)51-29-27-41(50-46(51)54)49-44(53)34-15-10-8-11-16-34)31-58-47(35-17-12-9-13-18-35,36-19-23-38(55-5)24-20-36)37-21-25-39(56-6)26-22-37/h8-13,15-27,29,32-33,40,42-43,45H,14,30-31H2,1-7H3,(H,49,50,53,54)/t40-,42-,43-,45-,62?/m1/s1

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InChIKey

JFFSFQRVIPPCBC-VKBHKTMGSA-N

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CAS Registry Number

110764-78-8

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InChIKey

JFFSFQRVIPPCBC-VKBHKTMGSA-N

10 April 2021

https://commonchemistry.cas.org/detail?cas_rn=110764-78-8

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26 December 2021

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DSSTOX compound identifier

DTXCID40502432

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Probes And Drugs ID

PD157758

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(Q82431423)

N-Benzoyl-5'-O-[bis(4-methoxyphenyl)(phenyl)methyl]-3'-O-{(2-cyanoethoxy)[di(propan-2-yl)amino]phosphanyl}-2'-O-methylcytidine

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