6LA

methyl 2-(acetylamino)-4,6-O-[(1S)-1-carboxyethylidene]-2-deoxy-beta-D-mannopyranoside

Created:	2016-04-28
Last modified:	2018-08-15

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5 entries where 6LA is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	40
Chiral Atom Count	6
Bond Count	41
Aromatic Bond Count	0

2D diagram of 6LA

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Chemical Component Summary
Name	methyl 2-(acetylamino)-4,6-O-[(1S)-1-carboxyethylidene]-2-deoxy-beta-D-mannopyranoside
Systematic Name (OpenEye OEToolkits)	(2~{S},4~{a}~{R},6~{R},7~{S},8~{R},8~{a}~{S})-7-acetamido-6-methoxy-2-methyl-8-oxidanyl-4,4~{a},6,7,8,8~{a}-hexahydropyrano[3,2-d][1,3]dioxine-2-carboxylic acid
Formula	C₁₂ H₁₉ N O₈
Molecular Weight	305.281
Type	D-SACCHARIDE

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	CC(=O)NC2C(O)C1OC(C(O)=O)(C)OCC1OC2OC
SMILES	CACTVS	3.385	CO[CH]1O[CH]2CO[C](C)(O[CH]2[CH](O)[CH]1NC(C)=O)C(O)=O
SMILES	OpenEye OEToolkits	2.0.4	CC(=O)NC1C(C2C(COC(O2)(C)C(=O)O)OC1OC)O
Canonical SMILES	CACTVS	3.385	CO[C@@H]1O[C@@H]2CO[C@@](C)(O[C@H]2[C@H](O)[C@@H]1NC(C)=O)C(O)=O
Canonical SMILES	OpenEye OEToolkits	2.0.4	CC(=O)N[C@H]1[C@H]([C@H]2[C@@H](CO[C@](O2)(C)C(=O)O)O[C@H]1OC)O
InChI	InChI	1.03	InChI=1S/C12H19NO8/c1-5(14)13-7-8(15)9-6(20-10(7)18-3)4-19-12(2,21-9)11(16)17/h6-10,15H,4H2,1-3H3,(H,13,14)(H,16,17)/t6-,7+,8-,9-,10-,12+/m1/s1
InChIKey	InChI	1.03	KCXDWSUMIHDAQQ-KFRVFMFJSA-N

Related Resource References

Resource Name	Reference
PubChem	134812666

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