2CV

HEGA-10

Created:	2010-11-30
Last modified:	2011-06-04

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45 entries where 2CV is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	63
Chiral Atom Count	4
Bond Count	62
Aromatic Bond Count	0

2D diagram of 2CV

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Chemical Component Summary
Name	HEGA-10
Systematic Name (OpenEye OEToolkits)	N-(2-hydroxyethyl)-N-[(2R,3R,4S,5S)-2,3,4,5,6-pentahydroxyhexyl]decanamide
Formula	C₁₈ H₃₇ N O₇
Molecular Weight	379.489
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.352	CCCCCCCCCC(=O)N(CCO)C[CH](O)[CH](O)[CH](O)[CH](O)CO
SMILES	OpenEye OEToolkits	1.6.1	CCCCCCCCCC(=O)N(CCO)CC(C(C(C(CO)O)O)O)O
Canonical SMILES	CACTVS	3.352	CCCCCCCCCC(=O)N(CCO)C[C@@H](O)[C@@H](O)[C@@H](O)[C@@H](O)CO
Canonical SMILES	OpenEye OEToolkits	1.6.1	CCCCCCCCCC(=O)N(CCO)C[C@H]([C@H]([C@H]([C@H](CO)O)O)O)O
InChI	InChI	1.03	InChI=1S/C18H37NO7/c1-2-3-4-5-6-7-8-9-16(24)19(10-11-20)12-14(22)17(25)18(26)15(23)13-21/h14-15,17-18,20-23,25-26H,2-13H2,1H3/t14-,15+,17-,18+/m1/s1
InChIKey	InChI	1.03	ITEIKACYSCODFV-ATLSCFEFSA-N

Related Resource References

Resource Name	Reference
PubChem	49835947

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