(Q63398171)

English

2',3'-di-O-acetyl-5'-deoxy-5-fluorocytidine

chemical compound

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instance of

type of chemical entity

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subclass of

2',3'-di-O-acetyl-5'-deoxy-5-fluorocytidine (incomplete stereochemistry)

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based on heuristic

inferred from SMILES

mass

329.102313452 dalton

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based on heuristic

inferred from isomeric SMILES

chemical formula

C₁₃H₁₆FN₃O₆

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canonical SMILES

CC(=O)OC1C(C)OC(n2cc(F)c(N)nc2=O)C1OC(C)=O

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based on heuristic

inferred from isomeric SMILES

isomeric SMILES

C[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=C(C(=NC2=O)N)F)OC(=O)C)OC(=O)C

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different from

2',3'-di-O-acetyl-5'-deoxy-5-fluorocytidine (incomplete stereochemistry)

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Identifiers

InChI

InChI=1S/C13H16FN3O6/c1-5-9(22-6(2)18)10(23-7(3)19)12(21-5)17-4-8(14)11(15)16-13(17)20/h4-5,9-10,12H,1-3H3,(H2,15,16,20)/t5-,9-,10-,12-/m1/s1

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InChIKey

NWJBWNIUGNXJGO-RPULLILYSA-N

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CAS Registry Number

161599-46-8

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InChIKey

NWJBWNIUGNXJGO-RPULLILYSA-N

10 April 2021

https://commonchemistry.cas.org/detail?cas_rn=161599-46-8

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MassBank accession ID

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Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard

DSSTOX compound identifier

DTXCID0089698

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EC number

605-260-4

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ECHA Substance Infocard ID

100.125.485

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UNII

Q6KTK8KQR2

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(Q63398171)

2',3'-di-O-acetyl-5'-deoxy-5-fluorocytidine

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