RJR

(1~{S},2~{R},3~{R},4~{S},5~{S})-4-[[4-[3-(1-adamantylmethoxy)propyl]-1,2,3-triazol-1-yl]methyl]cyclohexane-1,2,3,5-tetrol

Created:	2018-12-11
Last modified:	2024-09-27

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1 entries where RJR is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	0
Atom Count	68
Chiral Atom Count	5
Bond Count	72
Aromatic Bond Count	5

2D diagram of RJR

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Chemical Component Summary
Name	(1~{S},2~{R},3~{R},4~{S},5~{S})-4-[[4-[3-(1-adamantylmethoxy)propyl]-1,2,3-triazol-1-yl]methyl]cyclohexane-1,2,3,5-tetrol
Systematic Name (OpenEye OEToolkits)	(1~{S},2~{R},3~{R},4~{S},5~{S})-4-[[4-[3-(1-adamantylmethoxy)propyl]-1,2,3-triazol-1-yl]methyl]cyclohexane-1,2,3,5-tetrol
Formula	C₂₃ H₃₇ N₃ O₅
Molecular Weight	435.557
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	O[CH]1C[CH](O)[CH](Cn2cc(CCCOCC34CC5CC(CC(C5)C3)C4)nn2)[CH](O)[CH]1O
SMILES	OpenEye OEToolkits	2.0.6	c1c(nnn1CC2C(CC(C(C2O)O)O)O)CCCOCC34CC5CC(C3)CC(C5)C4
Canonical SMILES	CACTVS	3.385	O[C@H]1C[C@H](O)[C@H](Cn2cc(CCCOCC34CC5CC(CC(C5)C3)C4)nn2)[C@@H](O)[C@@H]1O
Canonical SMILES	OpenEye OEToolkits	2.0.6	c1c(nnn1C[C@H]2[C@H](C[C@@H]([C@H]([C@@H]2O)O)O)O)CCCOCC34CC5CC(C3)CC(C5)C4
InChI	InChI	1.03	InChI=1S/C23H37N3O5/c27-19-7-20(28)22(30)21(29)18(19)12-26-11-17(24-25-26)2-1-3-31-13-23-8-14-4-15(9-23)6-16(5-14)10-23/h11,14-16,18-22,27-30H,1-10,12-13H2/t14-,15+,16-,18-,19-,20-,21+,22+,23-/m0/s1
InChIKey	InChI	1.03	SADPKFATELTVOP-HXOWLEFZSA-N

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