2DF
Summary
Name: | N-(2-DEOXY-BETA-D-ERYTHO-PENTOFURANOSYL-5-PHOSPHATE) FORMAMIDE |
Formula: | C6 H12 N O7 P |
Formal charge: | 0 |
Formula weight: | 241.136 Da |
Component type: | DNA LINKING |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 10.04 | 2-deoxy-N-formyl-5-O-phosphono-beta-D-erythro-pentofuranosylamine |
OpenEye OEToolkits | 1.5.0 | [(2R,3S,5R)-5-formamido-3-hydroxy-oxolan-2-yl]methyl dihydrogen phosphate |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=CNC1OC(C(O)C1)COP(=O)(O)O |
SMILES_CANONICAL | CACTVS | 3.341 | O[C@H]1C[C@H](NC=O)O[C@@H]1CO[P](O)(O)=O |
SMILES | CACTVS | 3.341 | O[CH]1C[CH](NC=O)O[CH]1CO[P](O)(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C1[C@@H]([C@H](O[C@H]1NC=O)COP(=O)(O)O)O |
SMILES | OpenEye OEToolkits | 1.5.0 | C1C(C(OC1NC=O)COP(=O)(O)O)O |
InChI | InChI | 1.03 | InChI=1S/C6H12NO7P/c8-3-7-6-1-4(9)5(14-6)2-13-15(10,11)12/h3-6,9H,1-2H2,(H,7,8)(H2,10,11,12)/t4-,5+,6+/m0/s1 |
InChIKey | InChI | 1.03 | CLIXLSFJUCMEGR-KVQBGUIXSA-N |