6-[4-(4-azidobutanoylamino)-2-(difluoromethyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;(2R,3R,4R,5S,6R)-6-[4-[2-(6-azidohexanoylamino)pent-4-ynoylamino]-2-(difluoromethyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;6-[4-[2-(6-azidohexanoylamino)pent-4-ynoylamino]-2-(difluoromethyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;(2R,3R,4R,5S,6R)-6-[4-[2-[[2-[2-[2-(azidomethoxy)ethoxy]ethoxy]acetyl]amino]hex-5-ynoylamino]-2-(difluoromethyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;6-[4-[2-[[2-[2-[2-(azidomethoxy)ethoxy]ethoxy]acetyl]amino]hex-5-ynoylamino]-2-(difluoromethyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;(2R,3R,4R,5S,6R)-6-[4-[[3-azido-2-(oct-7-ynoylamino)propanoyl]amino]-2-(difluoromethyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;6-[4-[[3-azido-2-(oct-7-ynoylamino)propanoyl]amino]-2-(difluoromethyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;(2R,3R,4R,5S,6R)-6-[4-[[4-azido-2-[[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]acetyl]amino]butanoyl]amino]-2-(difluoromethyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;6-[4-[[4-azido-2-[[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]acetyl]amino]butanoyl]amino]-2-(difluoromethyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;6-[2-(difluoromethyl)-4-(hex-5-ynoylamino)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

C236H289F20N45O100 — CID 167680783

IUPAC6-[4-(4-azidobutanoylamino)-2-(difluoromethyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;(2R,3R,4R,5S,6R)-6-[4-[2-(6-azidohexanoylamino)pent-4-ynoylamino]-2-(difluoromethyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;6-[4-[2-(6-azidohexanoylamino)pent-4-ynoylamino]-2-(difluoromethyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;(2R,3R,4R,5S,6R)-6-[4-[2-[[2-[2-[2-(azidomethoxy)ethoxy]ethoxy]acetyl]amino]hex-5-ynoylamino]-2-(difluoromethyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;6-[4-[2-[[2-[2-[2-(azidomethoxy)ethoxy]ethoxy]acetyl]amino]hex-5-ynoylamino]-2-(difluoromethyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;(2R,3R,4R,5S,6R)-6-[4-[[3-azido-2-(oct-7-ynoylamino)propanoyl]amino]-2-(difluoromethyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;6-[4-[[3-azido-2-(oct-7-ynoylamino)propanoyl]amino]-2-(difluoromethyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;(2R,3R,4R,5S,6R)-6-[4-[[4-azido-2-[[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]acetyl]amino]butanoyl]amino]-2-(difluoromethyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;6-[4-[[4-azido-2-[[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]acetyl]amino]butanoyl]amino]-2-(difluoromethyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;6-[2-(difluoromethyl)-4-(hex-5-ynoylamino)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
SMILESC#CCC(NC(=O)CCCCCN=[N+]=[N-])C(=O)Nc1ccc(OC2OC(C(=O)O)C(O)C(O)C2O)c(C(F)F)c1.C#CCC(NC(=O)CCCCCN=[N+]=[N-])C(=O)Nc1ccc(O[C@H]2O[C@@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]2O)c(C(F)F)c1.C#CCCC(NC(=O)COCCOCCOCN=[N+]=[N-])C(=O)Nc1ccc(OC2OC(C(=O)O)C(O)C(O)C2O)c(C(F)F)c1.C#CCCC(NC(=O)COCCOCCOCN=[N+]=[N-])C(=O)Nc1ccc(O[C@H]2O[C@@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]2O)c(C(F)F)c1.C#CCCCC(=O)Nc1ccc(OC2OC(C(=O)O)C(O)C(O)C2O)c(C(F)F)c1.C#CCCCCCC(=O)NC(CN=[N+]=[N-])C(=O)Nc1ccc(OC2OC(C(=O)O)C(O)C(O)C2O)c(C(F)F)c1.C#CCCCCCC(=O)NC(CN=[N+]=[N-])C(=O)Nc1ccc(O[C@H]2O[C@@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]2O)c(C(F)F)c1.C#CCOCCOCCOCC(=O)NC(CCN=[N+]=[N-])C(=O)Nc1ccc(OC2OC(C(=O)O)C(O)C(O)C2O)c(C(F)F)c1.C#CCOCCOCCOCC(=O)NC(CCN=[N+]=[N-])C(=O)Nc1ccc(O[C@H]2O[C@@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]2O)c(C(F)F)c1.[N-]=[N+]=NCCCC(=O)Nc1ccc(OC2OC(C(=O)O)C(O)C(O)C2O)c(C(F)F)c1
InChIInChI=1S/4C26H33F2N5O12.4C24H29F2N5O9.C19H21F2NO8.C17H20F2N4O8/c2*1-2-7-41-8-9-42-10-11-43-13-18(34)32-16(5-6-30-33-29)24(38)31-14-3-4-17(15(12-14)23(27)28)44-26-21(37)19(35)20(36)22(45-26)25(39)40;2*1-2-3-4-16(32-18(34)12-42-9-7-41-8-10-43-13-30-33-29)24(38)31-14-5-6-17(15(11-14)23(27)28)44-26-21(37)19(35)20(36)22(45-26)25(39)40;2*1-2-6-14(30-16(32)7-4-3-5-10-28-31-27)22(36)29-12-8-9-15(13(11-12)21(25)26)39-24-19(35)17(33)18(34)20(40-24)23(37)38;2*1-2-3-4-5-6-7-16(32)30-14(11-28-31-27)22(36)29-12-8-9-15(13(10-12)21(25)26)39-24-19(35)17(33)18(34)20(40-24)23(37)38;1-2-3-4-5-12(23)22-9-6-7-11(10(8-9)17(20)21)29-19-15(26)13(24)14(25)16(30-19)18(27)28;18-15(19)8-6-7(22-10(24)2-1-5-21-23-20)3-4-9(8)30-17-13(27)11(25)12(26)14(31-17)16(28)29/h2*1,3-4,12,16,19-23,26,35-37H,5-11,13H2,(H,31,38)(H,32,34)(H,39,40);2*1,5-6,11,16,19-23,26,35-37H,3-4,7-10,12-13H2,(H,31,38)(H,32,34)(H,39,40);2*1,8-9,11,14,17-21,24,33-35H,3-7,10H2,(H,29,36)(H,30,32)(H,37,38);2*1,8-10,14,17-21,24,33-35H,3-7,11H2,(H,29,36)(H,30,32)(H,37,38);1,6-8,13-17,19,24-26H,3-5H2,(H,22,23)(H,27,28);3-4,6,11-15,17,25-27H,1-2,5H2,(H,22,24)(H,28,29)/t16?,19-,20-,21+,22-,26+;;16?,19-,20-,21+,22-,26+;;14?,17-,18-,19+,20-,24+;;14?,17-,18-,19+,20-,24+;;;/m1.1.1.1.../s1
InChIKeyVMXGSUMIUSGLAY-MDSKBLOOSA-N
MW5736.08 g/mol
LogP5.91
Rot. Bonds149

About 6-[4-(4-azidobutanoylamino)-2-(difluoromethyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;(2R,3R,4R,5S,6R)-6-[4-[2-(6-azidohexanoylamino)pent-4-ynoylamino]-2-(difluoromethyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;6-[4-[2-(6-azidohexanoylamino)pent-4-ynoylamino]-2-(difluoromethyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;(2R,3R,4R,5S,6R)-6-[4-[2-[[2-[2-[2-(azidomethoxy)ethoxy]ethoxy]acetyl]amino]hex-5-ynoylamino]-2-(difluoromethyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;6-[4-[2-[[2-[2-[2-(azidomethoxy)ethoxy]ethoxy]acetyl]amino]hex-5-ynoylamino]-2-(difluoromethyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;(2R,3R,4R,5S,6R)-6-[4-[[3-azido-2-(oct-7-ynoylamino)propanoyl]amino]-2-(difluoromethyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;6-[4-[[3-azido-2-(oct-7-ynoylamino)propanoyl]amino]-2-(difluoromethyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;(2R,3R,4R,5S,6R)-6-[4-[[4-azido-2-[[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]acetyl]amino]butanoyl]amino]-2-(difluoromethyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;6-[4-[[4-azido-2-[[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]acetyl]amino]butanoyl]amino]-2-(difluoromethyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;6-[2-(difluoromethyl)-4-(hex-5-ynoylamino)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

6-[4-(4-azidobutanoylamino)-2-(difluoromethyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;(2R,3R,4R,5S,6R)-6-[4-[2-(6-azidohexanoylamino)pent-4-ynoylamino]-2-(difluoromethyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;6-[4-[2-(6-azidohexanoylamino)pent-4-ynoylamino]-2-(difluoromethyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;(2R,3R,4R,5S,6R)-6-[4-[2-[[2-[2-[2-(azidomethoxy)ethoxy]ethoxy]acetyl]amino]hex-5-ynoylamino]-2-(difluoromethyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;6-[4-[2-[[2-[2-[2-(azidomethoxy)ethoxy]ethoxy]acetyl]amino]hex-5-ynoylamino]-2-(difluoromethyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;(2R,3R,4R,5S,6R)-6-[4-[[3-azido-2-(oct-7-ynoylamino)propanoyl]amino]-2-(difluoromethyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;6-[4-[[3-azido-2-(oct-7-ynoylamino)propanoyl]amino]-2-(difluoromethyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;(2R,3R,4R,5S,6R)-6-[4-[[4-azido-2-[[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]acetyl]amino]butanoyl]amino]-2-(difluoromethyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;6-[4-[[4-azido-2-[[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]acetyl]amino]butanoyl]amino]-2-(difluoromethyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;6-[2-(difluoromethyl)-4-(hex-5-ynoylamino)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid (PubChem CID 167680783) has the molecular formula C236H289F20N45O100 and a molecular weight of 5736.08 g/mol. Its IUPAC name is 6-[4-(4-azidobutanoylamino)-2-(difluoromethyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;(2R,3R,4R,5S,6R)-6-[4-[2-(6-azidohexanoylamino)pent-4-ynoylamino]-2-(difluoromethyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;6-[4-[2-(6-azidohexanoylamino)pent-4-ynoylamino]-2-(difluoromethyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;(2R,3R,4R,5S,6R)-6-[4-[2-[[2-[2-[2-(azidomethoxy)ethoxy]ethoxy]acetyl]amino]hex-5-ynoylamino]-2-(difluoromethyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;6-[4-[2-[[2-[2-[2-(azidomethoxy)ethoxy]ethoxy]acetyl]amino]hex-5-ynoylamino]-2-(difluoromethyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;(2R,3R,4R,5S,6R)-6-[4-[[3-azido-2-(oct-7-ynoylamino)propanoyl]amino]-2-(difluoromethyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;6-[4-[[3-azido-2-(oct-7-ynoylamino)propanoyl]amino]-2-(difluoromethyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;(2R,3R,4R,5S,6R)-6-[4-[[4-azido-2-[[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]acetyl]amino]butanoyl]amino]-2-(difluoromethyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;6-[4-[[4-azido-2-[[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]acetyl]amino]butanoyl]amino]-2-(difluoromethyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;6-[2-(difluoromethyl)-4-(hex-5-ynoylamino)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid.

Molecular Properties

Compound Name6-[4-(4-azidobutanoylamino)-2-(difluoromethyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;(2R,3R,4R,5S,6R)-6-[4-[2-(6-azidohexanoylamino)pent-4-ynoylamino]-2-(difluoromethyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;6-[4-[2-(6-azidohexanoylamino)pent-4-ynoylamino]-2-(difluoromethyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;(2R,3R,4R,5S,6R)-6-[4-[2-[[2-[2-[2-(azidomethoxy)ethoxy]ethoxy]acetyl]amino]hex-5-ynoylamino]-2-(difluoromethyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;6-[4-[2-[[2-[2-[2-(azidomethoxy)ethoxy]ethoxy]acetyl]amino]hex-5-ynoylamino]-2-(difluoromethyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;(2R,3R,4R,5S,6R)-6-[4-[[3-azido-2-(oct-7-ynoylamino)propanoyl]amino]-2-(difluoromethyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;6-[4-[[3-azido-2-(oct-7-ynoylamino)propanoyl]amino]-2-(difluoromethyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;(2R,3R,4R,5S,6R)-6-[4-[[4-azido-2-[[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]acetyl]amino]butanoyl]amino]-2-(difluoromethyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;6-[4-[[4-azido-2-[[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]acetyl]amino]butanoyl]amino]-2-(difluoromethyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;6-[2-(difluoromethyl)-4-(hex-5-ynoylamino)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
PubChem CID167680783
Molecular FormulaC236H289F20N45O100
Molecular Weight5736.08 g/mol
Exact Mass5732.86
IUPAC Name6-[4-(4-azidobutanoylamino)-2-(difluoromethyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;(2R,3R,4R,5S,6R)-6-[4-[2-(6-azidohexanoylamino)pent-4-ynoylamino]-2-(difluoromethyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;6-[4-[2-(6-azidohexanoylamino)pent-4-ynoylamino]-2-(difluoromethyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;(2R,3R,4R,5S,6R)-6-[4-[2-[[2-[2-[2-(azidomethoxy)ethoxy]ethoxy]acetyl]amino]hex-5-ynoylamino]-2-(difluoromethyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;6-[4-[2-[[2-[2-[2-(azidomethoxy)ethoxy]ethoxy]acetyl]amino]hex-5-ynoylamino]-2-(difluoromethyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;(2R,3R,4R,5S,6R)-6-[4-[[3-azido-2-(oct-7-ynoylamino)propanoyl]amino]-2-(difluoromethyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;6-[4-[[3-azido-2-(oct-7-ynoylamino)propanoyl]amino]-2-(difluoromethyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;(2R,3R,4R,5S,6R)-6-[4-[[4-azido-2-[[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]acetyl]amino]butanoyl]amino]-2-(difluoromethyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;6-[4-[[4-azido-2-[[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]acetyl]amino]butanoyl]amino]-2-(difluoromethyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;6-[2-(difluoromethyl)-4-(hex-5-ynoylamino)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
SMILESC#CCC(NC(=O)CCCCCN=[N+]=[N-])C(=O)Nc1ccc(OC2OC(C(=O)O)C(O)C(O)C2O)c(C(F)F)c1.C#CCC(NC(=O)CCCCCN=[N+]=[N-])C(=O)Nc1ccc(O[C@H]2O[C@@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]2O)c(C(F)F)c1.C#CCCC(NC(=O)COCCOCCOCN=[N+]=[N-])C(=O)Nc1ccc(OC2OC(C(=O)O)C(O)C(O)C2O)c(C(F)F)c1.C#CCCC(NC(=O)COCCOCCOCN=[N+]=[N-])C(=O)Nc1ccc(O[C@H]2O[C@@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]2O)c(C(F)F)c1.C#CCCCC(=O)Nc1ccc(OC2OC(C(=O)O)C(O)C(O)C2O)c(C(F)F)c1.C#CCCCCCC(=O)NC(CN=[N+]=[N-])C(=O)Nc1ccc(OC2OC(C(=O)O)C(O)C(O)C2O)c(C(F)F)c1.C#CCCCCCC(=O)NC(CN=[N+]=[N-])C(=O)Nc1ccc(O[C@H]2O[C@@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]2O)c(C(F)F)c1.C#CCOCCOCCOCC(=O)NC(CCN=[N+]=[N-])C(=O)Nc1ccc(OC2OC(C(=O)O)C(O)C(O)C2O)c(C(F)F)c1.C#CCOCCOCCOCC(=O)NC(CCN=[N+]=[N-])C(=O)Nc1ccc(O[C@H]2O[C@@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]2O)c(C(F)F)c1.[N-]=[N+]=NCCCC(=O)Nc1ccc(OC2OC(C(=O)O)C(O)C(O)C2O)c(C(F)F)c1
InChIInChI=1S/4C26H33F2N5O12.4C24H29F2N5O9.C19H21F2NO8.C17H20F2N4O8/c2*1-2-7-41-8-9-42-10-11-43-13-18(34)32-16(5-6-30-33-29)24(38)31-14-3-4-17(15(12-14)23(27)28)44-26-21(37)19(35)20(36)22(45-26)25(39)40;2*1-2-3-4-16(32-18(34)12-42-9-7-41-8-10-43-13-30-33-29)24(38)31-14-5-6-17(15(11-14)23(27)28)44-26-21(37)19(35)20(36)22(45-26)25(39)40;2*1-2-6-14(30-16(32)7-4-3-5-10-28-31-27)22(36)29-12-8-9-15(13(11-12)21(25)26)39-24-19(35)17(33)18(34)20(40-24)23(37)38;2*1-2-3-4-5-6-7-16(32)30-14(11-28-31-27)22(36)29-12-8-9-15(13(10-12)21(25)26)39-24-19(35)17(33)18(34)20(40-24)23(37)38;1-2-3-4-5-12(23)22-9-6-7-11(10(8-9)17(20)21)29-19-15(26)13(24)14(25)16(30-19)18(27)28;18-15(19)8-6-7(22-10(24)2-1-5-21-23-20)3-4-9(8)30-17-13(27)11(25)12(26)14(31-17)16(28)29/h2*1,3-4,12,16,19-23,26,35-37H,5-11,13H2,(H,31,38)(H,32,34)(H,39,40);2*1,5-6,11,16,19-23,26,35-37H,3-4,7-10,12-13H2,(H,31,38)(H,32,34)(H,39,40);2*1,8-9,11,14,17-21,24,33-35H,3-7,10H2,(H,29,36)(H,30,32)(H,37,38);2*1,8-10,14,17-21,24,33-35H,3-7,11H2,(H,29,36)(H,30,32)(H,37,38);1,6-8,13-17,19,24-26H,3-5H2,(H,22,23)(H,27,28);3-4,6,11-15,17,25-27H,1-2,5H2,(H,22,24)(H,28,29)/t16?,19-,20-,21+,22-,26+;;16?,19-,20-,21+,22-,26+;;14?,17-,18-,19+,20-,24+;;14?,17-,18-,19+,20-,24+;;;/m1.1.1.1.../s1
InChIKeyVMXGSUMIUSGLAY-MDSKBLOOSA-N
XLogP5.91
TPSA2237.90 Ų
H-Bond Donors58
H-Bond Acceptors99
Rotatable Bonds149
Heavy Atoms401
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5005736.08
LogP ≤ 55.91
H-Bond Donors ≤ 558
H-Bond Acceptors ≤ 1099

Analyze 6-[4-(4-azidobutanoylamino)-2-(difluoromethyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;(2R,3R,4R,5S,6R)-6-[4-[2-(6-azidohexanoylamino)pent-4-ynoylamino]-2-(difluoromethyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;6-[4-[2-(6-azidohexanoylamino)pent-4-ynoylamino]-2-(difluoromethyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;(2R,3R,4R,5S,6R)-6-[4-[2-[[2-[2-[2-(azidomethoxy)ethoxy]ethoxy]acetyl]amino]hex-5-ynoylamino]-2-(difluoromethyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;6-[4-[2-[[2-[2-[2-(azidomethoxy)ethoxy]ethoxy]acetyl]amino]hex-5-ynoylamino]-2-(difluoromethyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;(2R,3R,4R,5S,6R)-6-[4-[[3-azido-2-(oct-7-ynoylamino)propanoyl]amino]-2-(difluoromethyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;6-[4-[[3-azido-2-(oct-7-ynoylamino)propanoyl]amino]-2-(difluoromethyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;(2R,3R,4R,5S,6R)-6-[4-[[4-azido-2-[[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]acetyl]amino]butanoyl]amino]-2-(difluoromethyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;6-[4-[[4-azido-2-[[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]acetyl]amino]butanoyl]amino]-2-(difluoromethyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;6-[2-(difluoromethyl)-4-(hex-5-ynoylamino)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid with MolForge

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Related Compounds

6-[4-(4-azidobutanoylamino)-2-methylphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
CID 159412807
7-[[3-(difluoromethyl)-4-[(2S,4R,5S)-5-[(2R,4R,5S)-5-[(2R,4R,5S)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl]dec-9-yn-5-one;N-[3-(difluoromethyl)-4-[(2S,4R,5S)-5-[(2R,4R,5S)-5-[(2R,4R,5S)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-4-oxo-2-prop-2-ynyloctanamide;(3S,4S,6S)-6-[2-(difluoromethyl)-4-(hex-5-ynoylamino)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;N-[4-[(2S,4R,5S)-5-[(2R,4R,5S)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-(fluoromethyl)phenyl]hex-5-ynamide;2-propoxyethyl 3-[[3-(difluoromethyl)-4-[(2S,4R,5S)-5-[(2R,4R,5S)-5-[(2R,4R,5S)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]carbamoyl]hex-5-ynoate;2-propoxyethyl 3-[[3-(difluoromethyl)-4-[(2S,4R,5S)-5-[(2R,4R,5S)-5-[(2R,4R,5S)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl]hex-5-ynoate;2-propoxyethyl 3-[[3-(difluoromethyl)-4-[(2S,4R,5S)-5-[(2R,4R,5S)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl]hex-5-ynoate
CID 162211475
6-[4-(3-aminopropanoylamino)-2-(fluoromethyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
CID 142554219
6-[4-[2-(6-aminohexanoylamino)pent-4-ynoylamino]-2-(fluoromethyl)phenoxy]-4-hydroxyoxane-2-carboxylic acid
CID 142554166
3,4,5-trihydroxy-6-[2-[2-[2-[(4-isothiocyanatophenyl)carbamothioylamino]ethoxy]ethoxy]ethoxy]oxane-2-carboxylic acid
CID 177044418
(2S,3S,4S,5R)-3,4,5-trihydroxy-6-[2-[2-[2-[(4-isothiocyanatophenyl)carbamothioylamino]ethoxy]ethoxy]ethoxy]oxane-2-carboxylic acid
CID 177044428
(2S,3S,4S,5R,6S)-6-[4-(azidomethyl)-8-(difluoromethyl)-2-oxochromen-7-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid;(2S,3S,4S,5R,6S)-6-[4-(azidomethyl)-8-(fluoromethyl)-2-oxochromen-7-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid;6-[4-(azidomethyl)-8-(fluoromethyl)-2-oxochromen-7-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid;(2S,3S,4S,5R,6S)-6-[8-(difluoromethyl)-2-oxo-4-prop-2-ynylchromen-7-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid;(2S,3S,4S,5R,6S)-6-[8-(fluoromethyl)-2-oxo-4-prop-2-ynylchromen-7-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid;6-[8-(fluoromethyl)-2-oxo-4-prop-2-ynylchromen-7-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
CID 158303280
6-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
CID 163289943
6-azido-N-(4-ethoxyphenyl)hexanamide
CID 42612189
CID 159596669
CID 159596669
[4-[[(2S)-2-[[(2S)-2-[[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]acetyl]amino]-3-methylbutanoyl]amino]-5-(carbamoylamino)pentanoyl]amino]phenyl]methylcarbamic acid
CID 175146843
(2S,3S,4S,5R,6S)-6-[4-(deuteriocarbonyloxymethyl)-2-[3-[[(2S)-6-(3-methoxypropanoylamino)-2-[6-(3-methyl-2,5-dioxopyrrolidin-1-yl)hexanoylamino]hexanoyl]amino]propanoylamino]phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
CID 122644720

Frequently Asked Questions

What is the IUPAC name of 6-[4-(4-azidobutanoylamino)-2-(difluoromethyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;(2R,3R,4R,5S,6R)-6-[4-[2-(6-azidohexanoylamino)pent-4-ynoylamino]-2-(difluoromethyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;6-[4-[2-(6-azidohexanoylamino)pent-4-ynoylamino]-2-(difluoromethyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;(2R,3R,4R,5S,6R)-6-[4-[2-[[2-[2-[2-(azidomethoxy)ethoxy]ethoxy]acetyl]amino]hex-5-ynoylamino]-2-(difluoromethyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;6-[4-[2-[[2-[2-[2-(azidomethoxy)ethoxy]ethoxy]acetyl]amino]hex-5-ynoylamino]-2-(difluoromethyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;(2R,3R,4R,5S,6R)-6-[4-[[3-azido-2-(oct-7-ynoylamino)propanoyl]amino]-2-(difluoromethyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;6-[4-[[3-azido-2-(oct-7-ynoylamino)propanoyl]amino]-2-(difluoromethyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;(2R,3R,4R,5S,6R)-6-[4-[[4-azido-2-[[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]acetyl]amino]butanoyl]amino]-2-(difluoromethyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;6-[4-[[4-azido-2-[[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]acetyl]amino]butanoyl]amino]-2-(difluoromethyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;6-[2-(difluoromethyl)-4-(hex-5-ynoylamino)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid?
The IUPAC name of 6-[4-(4-azidobutanoylamino)-2-(difluoromethyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;(2R,3R,4R,5S,6R)-6-[4-[2-(6-azidohexanoylamino)pent-4-ynoylamino]-2-(difluoromethyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;6-[4-[2-(6-azidohexanoylamino)pent-4-ynoylamino]-2-(difluoromethyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;(2R,3R,4R,5S,6R)-6-[4-[2-[[2-[2-[2-(azidomethoxy)ethoxy]ethoxy]acetyl]amino]hex-5-ynoylamino]-2-(difluoromethyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;6-[4-[2-[[2-[2-[2-(azidomethoxy)ethoxy]ethoxy]acetyl]amino]hex-5-ynoylamino]-2-(difluoromethyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;(2R,3R,4R,5S,6R)-6-[4-[[3-azido-2-(oct-7-ynoylamino)propanoyl]amino]-2-(difluoromethyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;6-[4-[[3-azido-2-(oct-7-ynoylamino)propanoyl]amino]-2-(difluoromethyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;(2R,3R,4R,5S,6R)-6-[4-[[4-azido-2-[[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]acetyl]amino]butanoyl]amino]-2-(difluoromethyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;6-[4-[[4-azido-2-[[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]acetyl]amino]butanoyl]amino]-2-(difluoromethyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;6-[2-(difluoromethyl)-4-(hex-5-ynoylamino)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid (CID 167680783) is 6-[4-(4-azidobutanoylamino)-2-(difluoromethyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;(2R,3R,4R,5S,6R)-6-[4-[2-(6-azidohexanoylamino)pent-4-ynoylamino]-2-(difluoromethyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;6-[4-[2-(6-azidohexanoylamino)pent-4-ynoylamino]-2-(difluoromethyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;(2R,3R,4R,5S,6R)-6-[4-[2-[[2-[2-[2-(azidomethoxy)ethoxy]ethoxy]acetyl]amino]hex-5-ynoylamino]-2-(difluoromethyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;6-[4-[2-[[2-[2-[2-(azidomethoxy)ethoxy]ethoxy]acetyl]amino]hex-5-ynoylamino]-2-(difluoromethyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;(2R,3R,4R,5S,6R)-6-[4-[[3-azido-2-(oct-7-ynoylamino)propanoyl]amino]-2-(difluoromethyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;6-[4-[[3-azido-2-(oct-7-ynoylamino)propanoyl]amino]-2-(difluoromethyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;(2R,3R,4R,5S,6R)-6-[4-[[4-azido-2-[[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]acetyl]amino]butanoyl]amino]-2-(difluoromethyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;6-[4-[[4-azido-2-[[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]acetyl]amino]butanoyl]amino]-2-(difluoromethyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;6-[2-(difluoromethyl)-4-(hex-5-ynoylamino)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid.
What is the SMILES notation for 6-[4-(4-azidobutanoylamino)-2-(difluoromethyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;(2R,3R,4R,5S,6R)-6-[4-[2-(6-azidohexanoylamino)pent-4-ynoylamino]-2-(difluoromethyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;6-[4-[2-(6-azidohexanoylamino)pent-4-ynoylamino]-2-(difluoromethyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;(2R,3R,4R,5S,6R)-6-[4-[2-[[2-[2-[2-(azidomethoxy)ethoxy]ethoxy]acetyl]amino]hex-5-ynoylamino]-2-(difluoromethyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;6-[4-[2-[[2-[2-[2-(azidomethoxy)ethoxy]ethoxy]acetyl]amino]hex-5-ynoylamino]-2-(difluoromethyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;(2R,3R,4R,5S,6R)-6-[4-[[3-azido-2-(oct-7-ynoylamino)propanoyl]amino]-2-(difluoromethyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;6-[4-[[3-azido-2-(oct-7-ynoylamino)propanoyl]amino]-2-(difluoromethyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;(2R,3R,4R,5S,6R)-6-[4-[[4-azido-2-[[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]acetyl]amino]butanoyl]amino]-2-(difluoromethyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;6-[4-[[4-azido-2-[[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]acetyl]amino]butanoyl]amino]-2-(difluoromethyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;6-[2-(difluoromethyl)-4-(hex-5-ynoylamino)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid?
The canonical SMILES for 6-[4-(4-azidobutanoylamino)-2-(difluoromethyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;(2R,3R,4R,5S,6R)-6-[4-[2-(6-azidohexanoylamino)pent-4-ynoylamino]-2-(difluoromethyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;6-[4-[2-(6-azidohexanoylamino)pent-4-ynoylamino]-2-(difluoromethyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;(2R,3R,4R,5S,6R)-6-[4-[2-[[2-[2-[2-(azidomethoxy)ethoxy]ethoxy]acetyl]amino]hex-5-ynoylamino]-2-(difluoromethyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;6-[4-[2-[[2-[2-[2-(azidomethoxy)ethoxy]ethoxy]acetyl]amino]hex-5-ynoylamino]-2-(difluoromethyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;(2R,3R,4R,5S,6R)-6-[4-[[3-azido-2-(oct-7-ynoylamino)propanoyl]amino]-2-(difluoromethyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;6-[4-[[3-azido-2-(oct-7-ynoylamino)propanoyl]amino]-2-(difluoromethyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;(2R,3R,4R,5S,6R)-6-[4-[[4-azido-2-[[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]acetyl]amino]butanoyl]amino]-2-(difluoromethyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;6-[4-[[4-azido-2-[[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]acetyl]amino]butanoyl]amino]-2-(difluoromethyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;6-[2-(difluoromethyl)-4-(hex-5-ynoylamino)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid is C#CCC(NC(=O)CCCCCN=[N+]=[N-])C(=O)Nc1ccc(OC2OC(C(=O)O)C(O)C(O)C2O)c(C(F)F)c1.C#CCC(NC(=O)CCCCCN=[N+]=[N-])C(=O)Nc1ccc(O[C@H]2O[C@@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]2O)c(C(F)F)c1.C#CCCC(NC(=O)COCCOCCOCN=[N+]=[N-])C(=O)Nc1ccc(OC2OC(C(=O)O)C(O)C(O)C2O)c(C(F)F)c1.C#CCCC(NC(=O)COCCOCCOCN=[N+]=[N-])C(=O)Nc1ccc(O[C@H]2O[C@@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]2O)c(C(F)F)c1.C#CCCCC(=O)Nc1ccc(OC2OC(C(=O)O)C(O)C(O)C2O)c(C(F)F)c1.C#CCCCCCC(=O)NC(CN=[N+]=[N-])C(=O)Nc1ccc(OC2OC(C(=O)O)C(O)C(O)C2O)c(C(F)F)c1.C#CCCCCCC(=O)NC(CN=[N+]=[N-])C(=O)Nc1ccc(O[C@H]2O[C@@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]2O)c(C(F)F)c1.C#CCOCCOCCOCC(=O)NC(CCN=[N+]=[N-])C(=O)Nc1ccc(OC2OC(C(=O)O)C(O)C(O)C2O)c(C(F)F)c1.C#CCOCCOCCOCC(=O)NC(CCN=[N+]=[N-])C(=O)Nc1ccc(O[C@H]2O[C@@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]2O)c(C(F)F)c1.[N-]=[N+]=NCCCC(=O)Nc1ccc(OC2OC(C(=O)O)C(O)C(O)C2O)c(C(F)F)c1.
What is the InChIKey of 6-[4-(4-azidobutanoylamino)-2-(difluoromethyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;(2R,3R,4R,5S,6R)-6-[4-[2-(6-azidohexanoylamino)pent-4-ynoylamino]-2-(difluoromethyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;6-[4-[2-(6-azidohexanoylamino)pent-4-ynoylamino]-2-(difluoromethyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;(2R,3R,4R,5S,6R)-6-[4-[2-[[2-[2-[2-(azidomethoxy)ethoxy]ethoxy]acetyl]amino]hex-5-ynoylamino]-2-(difluoromethyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;6-[4-[2-[[2-[2-[2-(azidomethoxy)ethoxy]ethoxy]acetyl]amino]hex-5-ynoylamino]-2-(difluoromethyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;(2R,3R,4R,5S,6R)-6-[4-[[3-azido-2-(oct-7-ynoylamino)propanoyl]amino]-2-(difluoromethyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;6-[4-[[3-azido-2-(oct-7-ynoylamino)propanoyl]amino]-2-(difluoromethyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;(2R,3R,4R,5S,6R)-6-[4-[[4-azido-2-[[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]acetyl]amino]butanoyl]amino]-2-(difluoromethyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;6-[4-[[4-azido-2-[[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]acetyl]amino]butanoyl]amino]-2-(difluoromethyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;6-[2-(difluoromethyl)-4-(hex-5-ynoylamino)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid?
The InChIKey is VMXGSUMIUSGLAY-MDSKBLOOSA-N. The full InChI is InChI=1S/4C26H33F2N5O12.4C24H29F2N5O9.C19H21F2NO8.C17H20F2N4O8/c2*1-2-7-41-8-9-42-10-11-43-13-18(34)32-16(5-6-30-33-29)24(38)31-14-3-4-17(15(12-14)23(27)28)44-26-21(37)19(35)20(36)22(45-26)25(39)40;2*1-2-3-4-16(32-18(34)12-42-9-7-41-8-10-43-13-30-33-29)24(38)31-14-5-6-17(15(11-14)23(27)28)44-26-21(37)19(35)20(36)22(45-26)25(39)40;2*1-2-6-14(30-16(32)7-4-3-5-10-28-31-27)22(36)29-12-8-9-15(13(11-12)21(25)26)39-24-19(35)17(33)18(34)20(40-24)23(37)38;2*1-2-3-4-5-6-7-16(32)30-14(11-28-31-27)22(36)29-12-8-9-15(13(10-12)21(25)26)39-24-19(35)17(33)18(34)20(40-24)23(37)38;1-2-3-4-5-12(23)22-9-6-7-11(10(8-9)17(20)21)29-19-15(26)13(24)14(25)16(30-19)18(27)28;18-15(19)8-6-7(22-10(24)2-1-5-21-23-20)3-4-9(8)30-17-13(27)11(25)12(26)14(31-17)16(28)29/h2*1,3-4,12,16,19-23,26,35-37H,5-11,13H2,(H,31,38)(H,32,34)(H,39,40);2*1,5-6,11,16,19-23,26,35-37H,3-4,7-10,12-13H2,(H,31,38)(H,32,34)(H,39,40);2*1,8-9,11,14,17-21,24,33-35H,3-7,10H2,(H,29,36)(H,30,32)(H,37,38);2*1,8-10,14,17-21,24,33-35H,3-7,11H2,(H,29,36)(H,30,32)(H,37,38);1,6-8,13-17,19,24-26H,3-5H2,(H,22,23)(H,27,28);3-4,6,11-15,17,25-27H,1-2,5H2,(H,22,24)(H,28,29)/t16?,19-,20-,21+,22-,26+;;16?,19-,20-,21+,22-,26+;;14?,17-,18-,19+,20-,24+;;14?,17-,18-,19+,20-,24+;;;/m1.1.1.1.../s1.
What are the key properties of 6-[4-(4-azidobutanoylamino)-2-(difluoromethyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;(2R,3R,4R,5S,6R)-6-[4-[2-(6-azidohexanoylamino)pent-4-ynoylamino]-2-(difluoromethyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;6-[4-[2-(6-azidohexanoylamino)pent-4-ynoylamino]-2-(difluoromethyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;(2R,3R,4R,5S,6R)-6-[4-[2-[[2-[2-[2-(azidomethoxy)ethoxy]ethoxy]acetyl]amino]hex-5-ynoylamino]-2-(difluoromethyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;6-[4-[2-[[2-[2-[2-(azidomethoxy)ethoxy]ethoxy]acetyl]amino]hex-5-ynoylamino]-2-(difluoromethyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;(2R,3R,4R,5S,6R)-6-[4-[[3-azido-2-(oct-7-ynoylamino)propanoyl]amino]-2-(difluoromethyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;6-[4-[[3-azido-2-(oct-7-ynoylamino)propanoyl]amino]-2-(difluoromethyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;(2R,3R,4R,5S,6R)-6-[4-[[4-azido-2-[[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]acetyl]amino]butanoyl]amino]-2-(difluoromethyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;6-[4-[[4-azido-2-[[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]acetyl]amino]butanoyl]amino]-2-(difluoromethyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;6-[2-(difluoromethyl)-4-(hex-5-ynoylamino)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid?
6-[4-(4-azidobutanoylamino)-2-(difluoromethyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;(2R,3R,4R,5S,6R)-6-[4-[2-(6-azidohexanoylamino)pent-4-ynoylamino]-2-(difluoromethyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;6-[4-[2-(6-azidohexanoylamino)pent-4-ynoylamino]-2-(difluoromethyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;(2R,3R,4R,5S,6R)-6-[4-[2-[[2-[2-[2-(azidomethoxy)ethoxy]ethoxy]acetyl]amino]hex-5-ynoylamino]-2-(difluoromethyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;6-[4-[2-[[2-[2-[2-(azidomethoxy)ethoxy]ethoxy]acetyl]amino]hex-5-ynoylamino]-2-(difluoromethyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;(2R,3R,4R,5S,6R)-6-[4-[[3-azido-2-(oct-7-ynoylamino)propanoyl]amino]-2-(difluoromethyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;6-[4-[[3-azido-2-(oct-7-ynoylamino)propanoyl]amino]-2-(difluoromethyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;(2R,3R,4R,5S,6R)-6-[4-[[4-azido-2-[[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]acetyl]amino]butanoyl]amino]-2-(difluoromethyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;6-[4-[[4-azido-2-[[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]acetyl]amino]butanoyl]amino]-2-(difluoromethyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;6-[2-(difluoromethyl)-4-(hex-5-ynoylamino)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid has a molecular weight of 5736.08 g/mol, XLogP of 5.91, 149 rotatable bonds, 58 hydrogen bond donors, and 99 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(4-azidobutanoylamino)-2-(difluoromethyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;(2R,3R,4R,5S,6R)-6-[4-[2-(6-azidohexanoylamino)pent-4-ynoylamino]-2-(difluoromethyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;6-[4-[2-(6-azidohexanoylamino)pent-4-ynoylamino]-2-(difluoromethyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;(2R,3R,4R,5S,6R)-6-[4-[2-[[2-[2-[2-(azidomethoxy)ethoxy]ethoxy]acetyl]amino]hex-5-ynoylamino]-2-(difluoromethyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;6-[4-[2-[[2-[2-[2-(azidomethoxy)ethoxy]ethoxy]acetyl]amino]hex-5-ynoylamino]-2-(difluoromethyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;(2R,3R,4R,5S,6R)-6-[4-[[3-azido-2-(oct-7-ynoylamino)propanoyl]amino]-2-(difluoromethyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;6-[4-[[3-azido-2-(oct-7-ynoylamino)propanoyl]amino]-2-(difluoromethyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;(2R,3R,4R,5S,6R)-6-[4-[[4-azido-2-[[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]acetyl]amino]butanoyl]amino]-2-(difluoromethyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;6-[4-[[4-azido-2-[[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]acetyl]amino]butanoyl]amino]-2-(difluoromethyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;6-[2-(difluoromethyl)-4-(hex-5-ynoylamino)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid is sourced from PubChem (CID 167680783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).