8P2

[(1~{R},2~{R},3~{R},4~{S},5~{R},6~{S})-3,4,5-tris(oxidanyl)-7-oxabicyclo[4.1.0]heptan-2-yl]methanediazonium

Created: 2017-02-16
Last modified:  2017-03-01

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Chemical Details

Formal Charge1
Atom Count24
Chiral Atom Count6
Bond Count25
Aromatic Bond Count0
2D diagram of 8P2
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Chemical Component Summary

Name[(1~{R},2~{R},3~{R},4~{S},5~{R},6~{S})-3,4,5-tris(oxidanyl)-7-oxabicyclo[4.1.0]heptan-2-yl]methanediazonium
Systematic Name (OpenEye OEToolkits)[(1~{R},2~{R},3~{R},4~{S},5~{R},6~{S})-3,4,5-tris(oxidanyl)-7-oxabicyclo[4.1.0]heptan-2-yl]methanediazonium
FormulaC7 H11 N2 O4
Molecular Weight187.173
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESCACTVS3.385O[CH]1[CH](O)[CH](C[N+]#N)[CH]2O[CH]2[CH]1O
SMILESOpenEye OEToolkits2.0.6C(C1C(C(C(C2C1O2)O)O)O)[N+]#N
Canonical SMILESCACTVS3.385 O[C@H]1[C@H](O)[C@@H](C[N+]#N)[C@H]2O[C@H]2[C@@H]1O
Canonical SMILESOpenEye OEToolkits2.0.6 C([C@@H]1[C@H]([C@@H]([C@H]([C@H]2[C@@H]1O2)O)O)O)[N+]#N
InChIInChI1.03 InChI=1S/C7H11N2O4/c8-9-1-2-3(10)4(11)5(12)7-6(2)13-7/h2-7,10-12H,1H2/q+1/t2-,3-,4+,5-,6-,7+/m1/s1
InChIKeyInChI1.03 KCJIBVJCJMAQKE-GEGSFZHJSA-N

Related Resource References

Resource NameReference
PubChem 137348736