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LDC

Summary
Name:4-AMINO-1-(2-DEOXY-BETA-L-ERYTHRO-PENTOFURANOSYL)PYRIMIDIN-2(1H)-ONE
Synonyms:L-2'-DEOXYCYTIDINE
Formula:C9 H13 N3 O4
Formal charge:0
Formula weight:227.217 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.044-amino-1-(2-deoxy-beta-L-erythro-pentofuranosyl)pyrimidin-2(1H)-one
OpenEye OEToolkits1.5.04-amino-1-[(2S,4R,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C1N=C(N)C=CN1C2OC(C(O)C2)CO
SMILES_CANONICALCACTVS3.341NC1=NC(=O)N(C=C1)[C@@H]2C[C@@H](O)[C@H](CO)O2
SMILESCACTVS3.341NC1=NC(=O)N(C=C1)[CH]2C[CH](O)[CH](CO)O2
SMILES_CANONICALOpenEye OEToolkits1.5.0C1[C@H]([C@@H](O[C@@H]1N2C=CC(=NC2=O)N)CO)O
SMILESOpenEye OEToolkits1.5.0C1C(C(OC1N2C=CC(=NC2=O)N)CO)O
InChIInChI1.03InChI=1S/C9H13N3O4/c10-7-1-2-12(9(15)11-7)8-3-5(14)6(4-13)16-8/h1-2,5-6,8,13-14H,3-4H2,(H2,10,11,15)/t5-,6+,8+/m1/s1
InChIKeyInChI1.03CKTSBUTUHBMZGZ-CHKWXVPMSA-N

220472

PDB entries from 2024-05-29

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