GRX

(1R)-1,5-anhydro-1-[(S)-fluoro(phosphono)methyl]-D-glucitol

Created:	2013-09-09
Last modified:	2020-07-17

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2 entries where GRX is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	31
Chiral Atom Count	6
Bond Count	31
Aromatic Bond Count	0

2D diagram of GRX

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Chemical Component Summary
Name	(1R)-1,5-anhydro-1-[(S)-fluoro(phosphono)methyl]-D-glucitol
Synonyms	(S)-1-beta-phosphonofluoromethylene-1-deoxy-D-glucopyranose
Systematic Name (OpenEye OEToolkits)	[(S)-fluoranyl-[(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]methyl]phosphonic acid
Formula	C₇ H₁₄ F O₈ P
Molecular Weight	276.153
Type	D-SACCHARIDE

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=P(O)(O)C(F)C1OC(C(O)C(O)C1O)CO
SMILES	CACTVS	3.385	OC[CH]1O[CH]([CH](O)[CH](O)[CH]1O)[CH](F)[P](O)(O)=O
SMILES	OpenEye OEToolkits	1.9.2	C(C1C(C(C(C(O1)C(F)P(=O)(O)O)O)O)O)O
Canonical SMILES	CACTVS	3.385	OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)[C@@H](F)[P](O)(O)=O
Canonical SMILES	OpenEye OEToolkits	1.9.2	C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)[C@@H](F)P(=O)(O)O)O)O)O)O
InChI	InChI	1.03	InChI=1S/C7H14FO8P/c8-7(17(13,14)15)6-5(12)4(11)3(10)2(1-9)16-6/h2-7,9-12H,1H2,(H2,13,14,15)/t2-,3-,4+,5-,6-,7+/m1/s1
InChIKey	InChI	1.03	BUPRWODHUABASJ-GEGSFZHJSA-N

Related Resource References

Resource Name	Reference
PubChem	75815413

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