XLR

1,5,6-trideoxy-6,6-difluoro-1-(N-hydroxyformamido)-6-phosphono-D-ribo-hexitol

Created:	2022-11-29
Last modified:	2023-12-06

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1 entries where XLR is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	33
Chiral Atom Count	3
Bond Count	32
Aromatic Bond Count	0

2D diagram of XLR

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Chemical Component Summary
Name	1,5,6-trideoxy-6,6-difluoro-1-(N-hydroxyformamido)-6-phosphono-D-ribo-hexitol
Systematic Name (OpenEye OEToolkits)	[(3~{R},4~{R},5~{S})-1,1-bis(fluoranyl)-6-[methanoyl(oxidanyl)amino]-3,4,5-tris(oxidanyl)hexyl]phosphonic acid
Formula	C₇ H₁₄ F₂ N O₈ P
Molecular Weight	309.159
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	FC(F)(CC(O)C(O)C(O)CN(O)C=O)P(=O)(O)O
SMILES	CACTVS	3.385	O[CH](CN(O)C=O)[CH](O)[CH](O)CC(F)(F)[P](O)(O)=O
SMILES	OpenEye OEToolkits	2.0.7	C(C(C(C(CN(C=O)O)O)O)O)C(F)(F)P(=O)(O)O
Canonical SMILES	CACTVS	3.385	O[C@@H](CN(O)C=O)[C@H](O)[C@H](O)CC(F)(F)[P](O)(O)=O
Canonical SMILES	OpenEye OEToolkits	2.0.7	C([C@H]([C@H]([C@H](CN(C=O)O)O)O)O)C(F)(F)P(=O)(O)O
InChI	InChI	1.06	InChI=1S/C7H14F2NO8P/c8-7(9,19(16,17)18)1-4(12)6(14)5(13)2-10(15)3-11/h3-6,12-15H,1-2H2,(H2,16,17,18)/t4-,5+,6-/m1/s1
InChIKey	InChI	1.06	JNDAAKGDFVOUBF-NGJCXOISSA-N

Related Resource References

Resource Name	Reference
PubChem	118433522

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