F6U
Summary
Name: | [(2R,3R)-3-[2-(6-aminopurin-9-yl)ethanoylamino]-4-oxidanyl-butan-2-yl] dihydrogen phosphate |
Formula: | C11 H17 N6 O6 P |
Formal charge: | 0 |
Formula weight: | 360.263 Da |
Component type: | DNA linking |
Chemical Identifiers
Program | Version | Name |
OpenEye OEToolkits | 2.0.7 | [(2~{R},3~{R})-3-[2-(6-aminopurin-9-yl)ethanoylamino]-4-oxidanyl-butan-2-yl] dihydrogen phosphate |
Chemical Descriptors
Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C11H17N6O6P/c1-6(23-24(20,21)22)7(3-18)16-8(19)2-17-5-15-9-10(12)13-4-14-11(9)17/h4-7,18H,2-3H2,1H3,(H,16,19)(H2,12,13,14)(H2,20,21,22)/t6-,7-/m1/s1 |
InChIKey | InChI | 1.03 | USXONNDLXUHCOD-RNFRBKRXSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | C[C@@H](O[P](O)(O)=O)[C@@H](CO)NC(=O)Cn1cnc2c(N)ncnc12 |
SMILES | CACTVS | 3.385 | C[CH](O[P](O)(O)=O)[CH](CO)NC(=O)Cn1cnc2c(N)ncnc12 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@H]([C@@H](CO)NC(=O)Cn1cnc2c1ncnc2N)OP(=O)(O)O |
SMILES | OpenEye OEToolkits | 2.0.7 | CC(C(CO)NC(=O)Cn1cnc2c1ncnc2N)OP(=O)(O)O |