9VH

[(3~{S},4~{R},5~{R})-4,5-bis(oxidanyl)piperidin-3-yl]methanesulfonic acid

Created:	2017-07-18
Last modified:	2018-08-08

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3 entries where 9VH is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	26
Chiral Atom Count	3
Bond Count	26
Aromatic Bond Count	0

2D diagram of 9VH

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Chemical Component Summary
Name	[(3~{S},4~{R},5~{R})-4,5-bis(oxidanyl)piperidin-3-yl]methanesulfonic acid
Systematic Name (OpenEye OEToolkits)	[(3~{S},4~{R},5~{R})-4,5-bis(oxidanyl)piperidin-3-yl]methanesulfonic acid
Formula	C₆ H₁₃ N O₅ S
Molecular Weight	211.236
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	O[CH]1CNC[CH](C[S](O)(=O)=O)[CH]1O
SMILES	OpenEye OEToolkits	2.0.6	C1C(C(C(CN1)O)O)CS(=O)(=O)O
Canonical SMILES	CACTVS	3.385	O[C@@H]1CNC[C@H](C[S](O)(=O)=O)[C@H]1O
Canonical SMILES	OpenEye OEToolkits	2.0.6	C1[C@@H]([C@H]([C@@H](CN1)O)O)CS(=O)(=O)O
InChI	InChI	1.03	InChI=1S/C6H13NO5S/c8-5-2-7-1-4(6(5)9)3-13(10,11)12/h4-9H,1-3H2,(H,10,11,12)/t4-,5-,6-/m1/s1
InChIKey	InChI	1.03	RCSXCFCCYYFFCY-HSUXUTPPSA-N

Related Resource References

Resource Name	Reference
PubChem	134693714

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