JIW

beta-D-manno-configured cyclophellitol aziridine, reacted form

Created:	2022-04-28
Last modified:	2024-09-27

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Chemical Details
Formal Charge	0
Atom Count	28
Chiral Atom Count	6
Bond Count	28
Aromatic Bond Count	0

2D diagram of JIW

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Chemical Component Summary
Name	beta-D-manno-configured cyclophellitol aziridine, reacted form
Synonyms	(1~{R},2~{S},3~{R},4~{S},5~{R},6~{R})-5-azanyl-6-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol
Systematic Name (OpenEye OEToolkits)	(1~{R},2~{S},3~{R},4~{S},5~{R},6~{R})-5-azanyl-6-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol
Formula	C₇ H₁₅ N O₅
Molecular Weight	193.198
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	N[CH]1[CH](O)[CH](O)[CH](O)[CH](O)[CH]1CO
SMILES	OpenEye OEToolkits	2.0.7	C(C1C(C(C(C(C1O)O)O)O)N)O
Canonical SMILES	CACTVS	3.385	N[C@H]1[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)[C@H]1CO
Canonical SMILES	OpenEye OEToolkits	2.0.7	C([C@H]1[C@H]([C@@H]([C@H]([C@H]([C@@H]1O)O)O)O)N)O
InChI	InChI	1.06	InChI=1S/C7H15NO5/c8-3-2(1-9)4(10)6(12)7(13)5(3)11/h2-7,9-13H,1,8H2/t2-,3+,4+,5-,6-,7+/m0/s1
InChIKey	InChI	1.06	SWVTZDDSAFUTKS-DOMFMGKQSA-N

Related Resource References

Resource Name	Reference
PubChem	162423103

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