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AHU

Summary
Name:1',5'-ANHYDRO-2',3'-DIDEOXY-2'-(5-IODOURACIL-1-YL)-D-ABABINO-HEXITOL
Formula:C10 H13 I N2 O5
Formal charge:0
Formula weight:368.125 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.041,5-anhydro-2,3-dideoxy-2-(5-iodo-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-D-arabino-hexitol
OpenEye OEToolkits1.5.01-[(3S,5S,6R)-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]-5-iodo-pyrimidine-2,4-dione

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04IC1=CN(C(=O)NC1=O)C2CC(O)C(OC2)CO
SMILES_CANONICALCACTVS3.341OC[C@H]1OC[C@H](C[C@@H]1O)N2C=C(I)C(=O)NC2=O
SMILESCACTVS3.341OC[CH]1OC[CH](C[CH]1O)N2C=C(I)C(=O)NC2=O
SMILES_CANONICALOpenEye OEToolkits1.5.0C1[C@@H](CO[C@@H]([C@H]1O)CO)N2C=C(C(=O)NC2=O)I
SMILESOpenEye OEToolkits1.5.0C1C(COC(C1O)CO)N2C=C(C(=O)NC2=O)I
InChIInChI1.03InChI=1S/C10H13IN2O5/c11-6-2-13(10(17)12-9(6)16)5-1-7(15)8(3-14)18-4-5/h2,5,7-8,14-15H,1,3-4H2,(H,12,16,17)/t5-,7-,8+/m0/s1
InChIKeyInChI1.03PJDQVZSBWDEYOF-APQOSEDMSA-N

224931

건을2024-09-11부터공개중

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