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66V

Summary
Name:1-(8-{[(1S,2R,3S,4S,5R,6R)-2,3,4,5-tetrahydroxy-6-(hydroxymethyl)cyclohexyl]amino}octyl)triaza-1,2-dien-2-ium
Formula:C15 H31 N4 O5
Formal charge:1
Formula weight:347.43 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.011-(8-{[(1S,2R,3S,4S,5R,6R)-2,3,4,5-tetrahydroxy-6-(hydroxymethyl)cyclohexyl]amino}octyl)triaza-1,2-dien-2-ium
OpenEye OEToolkits2.0.4azanylidene-[8-[[(1~{S},2~{R},3~{R},4~{S},5~{S},6~{R})-2-(hydroxymethyl)-3,4,5,6-tetrakis(oxidanyl)cyclohexyl]amino]octylimino]azanium

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01C1(C(C(C(C(C1O)O)O)CO)NCCCCCCCC\N=[N+]=N)O
InChIInChI1.03InChI=1S/C15H31N4O5/c16-19-18-8-6-4-2-1-3-5-7-17-11-10(9-20)12(21)14(23)15(24)13(11)22/h10-17,20-24H,1-9H2/q+1/t10-,11-,12+,13+,14-,15-/m0/s1
InChIKeyInChI1.03KPTZFIOZQLVZBJ-SAAWNECCSA-N
SMILES_CANONICALCACTVS3.385OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]1NCCCCCCCCN=[N+]=N
SMILESCACTVS3.385OC[CH]1[CH](O)[CH](O)[CH](O)[CH](O)[CH]1NCCCCCCCCN=[N+]=N
SMILES_CANONICALOpenEye OEToolkits2.0.4C(CCCCN=[N+]=N)CCCN[C@H]1[C@@H]([C@H]([C@@H]([C@H]([C@@H]1O)O)O)O)CO
SMILESOpenEye OEToolkits2.0.4C(CCCCN=[N+]=N)CCCNC1C(C(C(C(C1O)O)O)O)CO

222415

건을2024-07-10부터공개중

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