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HEU

Summary
Name:3-(2-HYDROXYETHYL)-2'-DEOXYURIDINE-5'-MONOPHOSPHATE
Formula:C11 H17 N2 O9 P
Formal charge:0
Formula weight:352.234 Da
Component type:DNA LINKING

Chemical Identifiers

ProgramVersionName
ACDLabs10.042'-deoxy-3-(2-hydroxyethyl)uridine 5'-(dihydrogen phosphate)
OpenEye OEToolkits1.5.0[(2R,3S,5R)-3-hydroxy-5-[3-(2-hydroxyethyl)-2,4-dioxo-pyrimidin-1-yl]oxolan-2-yl]methyl dihydrogen phosphate

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C1N(C(=O)N(C=C1)C2OC(C(O)C2)COP(=O)(O)O)CCO
SMILES_CANONICALCACTVS3.341OCCN1C(=O)C=CN([C@H]2C[C@H](O)[C@@H](CO[P](O)(O)=O)O2)C1=O
SMILESCACTVS3.341OCCN1C(=O)C=CN([CH]2C[CH](O)[CH](CO[P](O)(O)=O)O2)C1=O
SMILES_CANONICALOpenEye OEToolkits1.5.0C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)N(C2=O)CCO)COP(=O)(O)O)O
SMILESOpenEye OEToolkits1.5.0C1C(C(OC1N2C=CC(=O)N(C2=O)CCO)COP(=O)(O)O)O
InChIInChI1.03InChI=1S/C11H17N2O9P/c14-4-3-12-9(16)1-2-13(11(12)17)10-5-7(15)8(22-10)6-21-23(18,19)20/h1-2,7-8,10,14-15H,3-6H2,(H2,18,19,20)/t7-,8+,10+/m0/s1
InChIKeyInChI1.03GBGSUYUQSAGQFW-QXFUBDJGSA-N

223532

PDB entries from 2024-08-07

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