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4MF

Summary
Name:1-(2-DEOXY-5-O-PHOSPHONO-BETA-D-ERYTHRO-PENTOFURANOSYL)-4-METHYL-1H-INDOLE
Formula:C14 H18 N O6 P
Formal charge:0
Formula weight:327.27 Da
Component type:DNA LINKING

Chemical Identifiers

ProgramVersionName
ACDLabs10.041-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-4-methyl-1H-indole
OpenEye OEToolkits1.5.0[(2R,3S,5R)-3-hydroxy-5-(4-methylindol-1-yl)oxolan-2-yl]methyl dihydrogen phosphate

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=P(O)(O)OCC3OC(n2ccc1c(cccc12)C)CC3O
SMILES_CANONICALCACTVS3.341Cc1cccc2n(ccc12)[C@H]3C[C@H](O)[C@@H](CO[P](O)(O)=O)O3
SMILESCACTVS3.341Cc1cccc2n(ccc12)[CH]3C[CH](O)[CH](CO[P](O)(O)=O)O3
SMILES_CANONICALOpenEye OEToolkits1.5.0Cc1cccc2c1ccn2[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O
SMILESOpenEye OEToolkits1.5.0Cc1cccc2c1ccn2C3CC(C(O3)COP(=O)(O)O)O
InChIInChI1.03InChI=1S/C14H18NO6P/c1-9-3-2-4-11-10(9)5-6-15(11)14-7-12(16)13(21-14)8-20-22(17,18)19/h2-6,12-14,16H,7-8H2,1H3,(H2,17,18,19)/t12-,13+,14+/m0/s1
InChIKeyInChI1.03UXXYPWCUINVUHL-BFHYXJOUSA-N

222415

數據於2024-07-10公開中

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