TEC

2-amino-6-O-decanoyl-2-deoxy-beta-D-glucopyranose

Created:	2014-04-29
Last modified:	2014-09-10

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1 entries where TEC is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	54
Chiral Atom Count	5
Bond Count	54
Aromatic Bond Count	0

2D diagram of TEC

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Chemical Component Summary
Name	2-amino-6-O-decanoyl-2-deoxy-beta-D-glucopyranose
Systematic Name (OpenEye OEToolkits)	[(2R,3S,4R,5R,6R)-5-azanyl-3,4,6-tris(oxidanyl)oxan-2-yl]methyl decanoate
Formula	C₁₆ H₃₁ N O₆
Molecular Weight	333.42
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(OCC1OC(O)C(N)C(O)C1O)CCCCCCCCC
SMILES	CACTVS	3.385	CCCCCCCCCC(=O)OC[CH]1O[CH](O)[CH](N)[CH](O)[CH]1O
SMILES	OpenEye OEToolkits	1.7.6	CCCCCCCCCC(=O)OCC1C(C(C(C(O1)O)N)O)O
Canonical SMILES	CACTVS	3.385	CCCCCCCCCC(=O)OC[C@H]1O[C@@H](O)[C@H](N)[C@@H](O)[C@@H]1O
Canonical SMILES	OpenEye OEToolkits	1.7.6	CCCCCCCCCC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)N)O)O
InChI	InChI	1.03	InChI=1S/C16H31NO6/c1-2-3-4-5-6-7-8-9-12(18)22-10-11-14(19)15(20)13(17)16(21)23-11/h11,13-16,19-21H,2-10,17H2,1H3/t11-,13-,14-,15-,16-/m1/s1
InChIKey	InChI	1.03	CEBTVLUOBKRBFG-JPIRQXTESA-N

Related Resource References

Resource Name	Reference
PubChem	77232211

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