N0T

(1~{S},2~{S},3~{S},4~{R},5~{R})-4-(hydroxymethyl)-5-(octylamino)cyclopentane-1,2,3-triol

Created:2019-11-04
Last modified:  2020-08-19

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Chemical Details

Formal Charge0
Atom Count48
Chiral Atom Count5
Bond Count48
Aromatic Bond Count0
2D diagram of N0T

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Chemical Component Summary

Name(1~{S},2~{S},3~{S},4~{R},5~{R})-4-(hydroxymethyl)-5-(octylamino)cyclopentane-1,2,3-triol
Systematic Name (OpenEye OEToolkits)(1~{S},2~{S},3~{S},4~{R},5~{R})-4-(hydroxymethyl)-5-(octylamino)cyclopentane-1,2,3-triol
FormulaC14 H29 N O4
Molecular Weight275.384
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESCACTVS3.385CCCCCCCCN[CH]1[CH](O)[CH](O)[CH](O)[CH]1CO
SMILESOpenEye OEToolkits2.0.7CCCCCCCCNC1C(C(C(C1O)O)O)CO
Canonical SMILESCACTVS3.385 CCCCCCCCN[C@H]1[C@H](O)[C@@H](O)[C@@H](O)[C@H]1CO
Canonical SMILESOpenEye OEToolkits2.0.7 CCCCCCCCN[C@@H]1[C@@H]([C@@H]([C@@H]([C@H]1O)O)O)CO
InChIInChI1.03 InChI=1S/C14H29NO4/c1-2-3-4-5-6-7-8-15-11-10(9-16)12(17)14(19)13(11)18/h10-19H,2-9H2,1H3/t10-,11+,12-,13-,14-/m0/s1
InChIKeyInChI1.03 UZTOTQLQFAGSAI-NDKCEZKHSA-N

Related Resource References

Resource NameReference
PubChem 154572779