IF6

(1R,2S,3R,4S,5S,6R)-7-(8-AZIDOOCTYL)-3,4,5-TRIHYDROXY-

Created:2016-03-22
Last modified:  2024-09-27

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Chemical Details

Formal Charge0
Atom Count54
Chiral Atom Count6
Bond Count53
Aromatic Bond Count0
2D diagram of IF6

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Chemical Component Summary

Name(1R,2S,3R,4S,5S,6R)-7-(8-AZIDOOCTYL)-3,4,5-TRIHYDROXY-
Systematic Name (OpenEye OEToolkits)(1S,2R,3S,4S,5S,6R)-2-(8-azidooctylamino)-3,4,5,6-tetrakis(oxidanyl)cyclohexane-1-carboxylic acid; hydrogen
FormulaC15 H29 N4 O6
Molecular Weight361.414
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESCACTVS3.385O[CH]1[CH](O)[CH](O)[CH]([CH](NCCCCCCCCN=[N+]=[N-])[CH]1O)C(O)=O
SMILESOpenEye OEToolkits1.7.6[H].C(CCCCN=[N+]=[N-])CCCNC1C(C(C(C(C1O)O)O)O)C(=O)O
Canonical SMILESCACTVS3.385 O[C@@H]1[C@@H](O)[C@H](O)[C@H]([C@@H](NCCCCCCCCN=[N+]=[N-])[C@@H]1O)C(O)=O
Canonical SMILESOpenEye OEToolkits1.7.6 [H].C(CCCCN=[N+]=[N-])CCCN[C@@H]1[C@@H]([C@H]([C@@H]([C@H]([C@H]1O)O)O)O)C(=O)O
InChIInChI1.03 InChI=1S/C15H28N4O6.H2/c16-19-18-8-6-4-2-1-3-5-7-17-10-9(15(24)25)11(20)13(22)14(23)12(10)21;/h9-14,17,20-23H,1-8H2,(H,24,25);1H/t9-,10+,11+,12-,13-,14-;/m0./s1
InChIKeyInChI1.03 QBQNFUQENFYCMG-GCWNQAICSA-N