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D3Z

Summary
Name:1-(5-deoxy-beta-L-xylofuranosyl)pyrimidine-2,4(1H,3H)-dione
Formula:C9 H12 N2 O5
Formal charge:0
Formula weight:228.202 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.041-(5-deoxy-beta-L-xylofuranosyl)pyrimidine-2,4(1H,3H)-dione
OpenEye OEToolkits1.5.01-[(2S,3S,4S,5S)-3,4-dihydroxy-5-methyl-oxolan-2-yl]pyrimidine-2,4-dione

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C1NC(=O)N(C=C1)C2OC(C(O)C2O)C
SMILES_CANONICALCACTVS3.341C[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)N2C=CC(=O)NC2=O
SMILESCACTVS3.341C[CH]1O[CH]([CH](O)[CH]1O)N2C=CC(=O)NC2=O
SMILES_CANONICALOpenEye OEToolkits1.5.0C[C@H]1[C@H]([C@@H]([C@H](O1)N2C=CC(=O)NC2=O)O)O
SMILESOpenEye OEToolkits1.5.0CC1C(C(C(O1)N2C=CC(=O)NC2=O)O)O
InChIInChI1.03InChI=1S/C9H12N2O5/c1-4-6(13)7(14)8(16-4)11-3-2-5(12)10-9(11)15/h2-4,6-8,13-14H,1H3,(H,10,12,15)/t4-,6+,7-,8-/m0/s1
InChIKeyInChI1.03WUBAOANSQGKRHF-UCVXFZOQSA-N

221716

数据于2024-06-26公开中

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