1D4

CYCLOTRIDECYL 3,4,6-TRIDEOXY-3-(DIMETHYLAMINO)-BETA-D-XYLO-HEXOPYRANOSIDE

Created:	2009-05-07
Last modified:	2011-06-04

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1 entries where 1D4 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	66
Chiral Atom Count	4
Bond Count	67
Aromatic Bond Count	0

2D diagram of 1D4

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Chemical Component Summary
Name	CYCLOTRIDECYL 3,4,6-TRIDEOXY-3-(DIMETHYLAMINO)-BETA-D-XYLO-HEXOPYRANOSIDE
Systematic Name (OpenEye OEToolkits)	(2S,3R,4S,6R)-2-cyclotridecyloxy-4-dimethylamino-6-methyl-oxan-3-ol
Formula	C₂₁ H₄₁ N O₃
Molecular Weight	355.555
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O(C1CCCCCCCCCCCC1)C2OC(CC(N(C)C)C2O)C
SMILES	CACTVS	3.352	C[CH]1C[CH]([CH](O)[CH](O1)OC2CCCCCCCCCCCC2)N(C)C
SMILES	OpenEye OEToolkits	1.6.1	CC1CC(C(C(O1)OC2CCCCCCCCCCCC2)O)N(C)C
Canonical SMILES	CACTVS	3.352	C[C@@H]1C[C@@H]([C@@H](O)[C@@H](O1)OC2CCCCCCCCCCCC2)N(C)C
Canonical SMILES	OpenEye OEToolkits	1.6.1	C[C@@H]1C[C@@H]([C@H]([C@@H](O1)OC2CCCCCCCCCCCC2)O)N(C)C
InChI	InChI	1.03	InChI=1S/C21H41NO3/c1-17-16-19(22(2)3)20(23)21(24-17)25-18-14-12-10-8-6-4-5-7-9-11-13-15-18/h17-21,23H,4-16H2,1-3H3/t17-,19+,20-,21+/m1/s1
InChIKey	InChI	1.03	LWQXCAWVTFBYID-PMXSJFBMSA-N

Related Resource References

Resource Name	Reference
PubChem	44241489

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