19D

(1R,2R,3R,4R,5R,7R)-2-(acetylamino)-7-[(1R)-1,2-dihydroxyethyl]-4-fluoro-3-hydroxy-6,8-dioxabicyclo[3.2.1]octane-5-carboxylic acid

Created:	2012-11-08
Last modified:	2016-01-13

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1 entries where 19D is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	37
Chiral Atom Count	7
Bond Count	38
Aromatic Bond Count	0

2D diagram of 19D

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Chemical Component Summary
Name	(1R,2R,3R,4R,5R,7R)-2-(acetylamino)-7-[(1R)-1,2-dihydroxyethyl]-4-fluoro-3-hydroxy-6,8-dioxabicyclo[3.2.1]octane-5-carboxylic acid
Systematic Name (OpenEye OEToolkits)	(1R,2R,3R,4R,5R,7R)-2-acetamido-7-[(1R)-1,2-bis(oxidanyl)ethyl]-4-fluoranyl-3-oxidanyl-6,8-dioxabicyclo[3.2.1]octane-5-carboxylic acid
Formula	C₁₁ H₁₆ F N O₈
Molecular Weight	309.245
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(O)C12OC(C(O1)C(NC(=O)C)C(O)C2F)C(O)CO
SMILES	CACTVS	3.370	CC(=O)N[CH]1[CH](O)[CH](F)[C]2(O[CH]([CH](O)CO)[CH]1O2)C(O)=O
SMILES	OpenEye OEToolkits	1.7.6	CC(=O)NC1C(C(C2(OC1C(O2)C(CO)O)C(=O)O)F)O
Canonical SMILES	CACTVS	3.370	CC(=O)N[C@@H]1[C@@H](O)[C@@H](F)[C@]2(O[C@H]([C@H](O)CO)[C@@H]1O2)C(O)=O
Canonical SMILES	OpenEye OEToolkits	1.7.6	CC(=O)N[C@@H]1[C@H]([C@H]([C@@]2(O[C@H]1[C@H](O2)[C@@H](CO)O)C(=O)O)F)O
InChI	InChI	1.03	InChI=1S/C11H16FNO8/c1-3(15)13-5-6(17)9(12)11(10(18)19)20-7(4(16)2-14)8(5)21-11/h4-9,14,16-17H,2H2,1H3,(H,13,15)(H,18,19)/t4-,5-,6-,7-,8-,9-,11-/m1/s1
InChIKey	InChI	1.03	JCWSZUBTEOFKAD-DAXAGCIGSA-N

Related Resource References

Resource Name	Reference
PubChem	105539820

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