VMO

(2~{R},3~{S},4~{R})-2-(hydroxymethyl)-1-methyl-pyrrolidine-3,4-diol

Created: 2023-07-28
Last modified:  2024-04-10

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Chemical Details

Formal Charge0
Atom Count23
Chiral Atom Count3
Bond Count23
Aromatic Bond Count0
2D diagram of VMO

Chemical Component Summary

Name(2~{R},3~{S},4~{R})-2-(hydroxymethyl)-1-methyl-pyrrolidine-3,4-diol
Systematic Name (OpenEye OEToolkits)(2~{R},3~{S},4~{R})-2-(hydroxymethyl)-1-methyl-pyrrolidine-3,4-diol
FormulaC6 H13 N O3
Molecular Weight147.172
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESCACTVS3.385CN1C[CH](O)[CH](O)[CH]1CO
SMILESOpenEye OEToolkits2.0.7CN1CC(C(C1CO)O)O
Canonical SMILESCACTVS3.385 CN1C[C@@H](O)[C@@H](O)[C@H]1CO
Canonical SMILESOpenEye OEToolkits2.0.7 CN1C[C@H]([C@H]([C@H]1CO)O)O
InChIInChI1.06 InChI=1S/C6H13NO3/c1-7-2-5(9)6(10)4(7)3-8/h4-6,8-10H,2-3H2,1H3/t4-,5-,6+/m1/s1
InChIKeyInChI1.06 UBVOJPDDTVFNFJ-PBXRRBTRSA-N