PRD_900064

Summary

Program	Version	Name
ACDLabs	12.01	4-O-(2-deoxy-2-fluoro-beta-D-galactopyranosyl)-beta-D-glucopyranose
OpenEye OEToolkits	2.0.7	(2~{R},3~{R},4~{R},5~{S},6~{R})-5-[(2~{S},3~{R},4~{S},5~{R},6~{R})-3-fluoranyl-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan- 2-yl]oxy-6-(hydroxymethyl)oxane-2,3,4-triol

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	C1(C(F)C(O)C(O)C(CO)O1)OC2C(C(C(OC2CO)O)O)O
InChI	InChI	1.03	InChI=1S/C12H21FO10/c13-5-7(17)6(16)3(1-14)22-12(5)23-10-4(2-15)21-11(20)9(19)8(10)18/h3-12,14-20H,1-2H2/t3-,4-,5-,6+,7 -,8-,9-,10-,11-,12+/m1/s1
InChIKey	InChI	1.03	KWMZPXRIEZDXAQ-QRZGKKJRSA-N
SMILES_CANONICAL	CACTVS	3.385	OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)O[C@@H]2CO)[C@H](F)[C@@H](O)[C@H]1O
SMILES	CACTVS	3.385	OC[CH]1O[CH](O[CH]2[CH](O)[CH](O)[CH](O)O[CH]2CO)[CH](F)[CH](O)[CH]1O
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)O)CO)F)O)O)O
SMILES	OpenEye OEToolkits	2.0.7	C(C1C(C(C(C(O1)OC2C(OC(C(C2O)O)O)CO)F)O)O)O