ethyl (2R)-2-amino-4-[(2R,3R,4S,5S,6R)-6-ethyl-5-methyl-3,4-bis(phenylmethoxy)oxan-2-yl]-4,4-difluorobutanoate;ethyl (2S)-2-amino-4-[(2R,3R,4S,5S,6R)-6-ethyl-5-methyl-3,4-bis(phenylmethoxy)oxan-2-yl]-4,4-difluorobutanoate;ethyl 2-amino-4-[(2R,3R,4S,5S,6R)-6-ethyl-5-methyl-3,4-bis(phenylmethoxy)oxan-2-yl]-4,4-difluorobutanoate;ethyl 2-amino-4-[(2S,3R,4S,5S,6R)-6-ethyl-5-methyl-3,4-bis(phenylmethoxy)oxan-2-yl]-4,4-difluorobutanoate;ethyl 2-cyano-4-[(2R,3R,4S,5S,6R)-6-ethyl-5-methyl-3,4-bis(phenylmethoxy)oxan-2-yl]-4,4-difluorobutanoate;ethyl 4-[(2S,3R,4S,5S,6R)-6-ethyl-3-(methoxymethoxy)-5-methyl-4-phenylmethoxyoxan-2-yl]-4,4-difluoro-2-nitrobutanoate;ethyl 4-[(2R,3R,4S,5S,6R)-6-ethyl-5-methyl-3,4-bis(phenylmethoxy)oxan-2-yl]-4,4-difluoro-2-nitrobutanoate;ethyl 4-[(2S,3R,4S,5S,6R)-6-ethyl-5-methyl-3,4-bis(phenylmethoxy)oxan-2-yl]-4,4-difluoro-2-nitrobutanoate

C220H286F16N8O47 — CID 160752313

IUPACethyl (2R)-2-amino-4-[(2R,3R,4S,5S,6R)-6-ethyl-5-methyl-3,4-bis(phenylmethoxy)oxan-2-yl]-4,4-difluorobutanoate;ethyl (2S)-2-amino-4-[(2R,3R,4S,5S,6R)-6-ethyl-5-methyl-3,4-bis(phenylmethoxy)oxan-2-yl]-4,4-difluorobutanoate;ethyl 2-amino-4-[(2R,3R,4S,5S,6R)-6-ethyl-5-methyl-3,4-bis(phenylmethoxy)oxan-2-yl]-4,4-difluorobutanoate;ethyl 2-amino-4-[(2S,3R,4S,5S,6R)-6-ethyl-5-methyl-3,4-bis(phenylmethoxy)oxan-2-yl]-4,4-difluorobutanoate;ethyl 2-cyano-4-[(2R,3R,4S,5S,6R)-6-ethyl-5-methyl-3,4-bis(phenylmethoxy)oxan-2-yl]-4,4-difluorobutanoate;ethyl 4-[(2S,3R,4S,5S,6R)-6-ethyl-3-(methoxymethoxy)-5-methyl-4-phenylmethoxyoxan-2-yl]-4,4-difluoro-2-nitrobutanoate;ethyl 4-[(2R,3R,4S,5S,6R)-6-ethyl-5-methyl-3,4-bis(phenylmethoxy)oxan-2-yl]-4,4-difluoro-2-nitrobutanoate;ethyl 4-[(2S,3R,4S,5S,6R)-6-ethyl-5-methyl-3,4-bis(phenylmethoxy)oxan-2-yl]-4,4-difluoro-2-nitrobutanoate
SMILESCCOC(=O)C(C#N)CC(F)(F)[C@@H]1O[C@H](CC)[C@H](C)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1.CCOC(=O)C(CC(F)(F)[C@@H]1O[C@H](CC)[C@H](C)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1)[N+](=O)[O-].CCOC(=O)C(CC(F)(F)[C@H]1O[C@H](CC)[C@H](C)[C@H](OCc2ccccc2)[C@H]1OCOC)[N+](=O)[O-].CCOC(=O)C(CC(F)(F)[C@H]1O[C@H](CC)[C@H](C)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1)[N+](=O)[O-].CCOC(=O)C(N)CC(F)(F)[C@@H]1O[C@H](CC)[C@H](C)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1.CCOC(=O)C(N)CC(F)(F)[C@H]1O[C@H](CC)[C@H](C)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1.CCOC(=O)[C@@H](N)CC(F)(F)[C@@H]1O[C@H](CC)[C@H](C)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1.CCOC(=O)[C@H](N)CC(F)(F)[C@@H]1O[C@H](CC)[C@H](C)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1
InChIInChI=1S/C29H35F2NO5.2C28H35F2NO7.4C28H37F2NO5.C23H33F2NO8/c1-4-24-20(3)25(35-18-21-12-8-6-9-13-21)26(36-19-22-14-10-7-11-15-22)27(37-24)29(30,31)16-23(17-32)28(33)34-5-2;2*1-4-23-19(3)24(36-17-20-12-8-6-9-13-20)25(37-18-21-14-10-7-11-15-21)26(38-23)28(29,30)16-22(31(33)34)27(32)35-5-2;4*1-4-23-19(3)24(34-17-20-12-8-6-9-13-20)25(35-18-21-14-10-7-11-15-21)26(36-23)28(29,30)16-22(31)27(32)33-5-2;1-5-18-15(3)19(32-13-16-10-8-7-9-11-16)20(33-14-30-4)21(34-18)23(24,25)12-17(26(28)29)22(27)31-6-2/h6-15,20,23-27H,4-5,16,18-19H2,1-3H3;2*6-15,19,22-26H,4-5,16-18H2,1-3H3;4*6-15,19,22-26H,4-5,16-18,31H2,1-3H3;7-11,15,17-21H,5-6,12-14H2,1-4H3/t20-,23?,24+,25-,26+,27+;19-,22?,23+,24-,25+,26+;19-,22?,23+,24-,25+,26-;19-,22?,23+,24-,25+,26+;19-,22?,23+,24-,25+,26-;19-,22+,23+,24-,25+,26+;19-,22-,23+,24-,25+,26+;15-,17?,18+,19-,20+,21-/m00000000/s1
InChIKeyRWZICQMBZOQWGY-JHCKPAMFSA-N
MW4098.68 g/mol
LogP39.26
Rot. Bonds99

About ethyl (2R)-2-amino-4-[(2R,3R,4S,5S,6R)-6-ethyl-5-methyl-3,4-bis(phenylmethoxy)oxan-2-yl]-4,4-difluorobutanoate;ethyl (2S)-2-amino-4-[(2R,3R,4S,5S,6R)-6-ethyl-5-methyl-3,4-bis(phenylmethoxy)oxan-2-yl]-4,4-difluorobutanoate;ethyl 2-amino-4-[(2R,3R,4S,5S,6R)-6-ethyl-5-methyl-3,4-bis(phenylmethoxy)oxan-2-yl]-4,4-difluorobutanoate;ethyl 2-amino-4-[(2S,3R,4S,5S,6R)-6-ethyl-5-methyl-3,4-bis(phenylmethoxy)oxan-2-yl]-4,4-difluorobutanoate;ethyl 2-cyano-4-[(2R,3R,4S,5S,6R)-6-ethyl-5-methyl-3,4-bis(phenylmethoxy)oxan-2-yl]-4,4-difluorobutanoate;ethyl 4-[(2S,3R,4S,5S,6R)-6-ethyl-3-(methoxymethoxy)-5-methyl-4-phenylmethoxyoxan-2-yl]-4,4-difluoro-2-nitrobutanoate;ethyl 4-[(2R,3R,4S,5S,6R)-6-ethyl-5-methyl-3,4-bis(phenylmethoxy)oxan-2-yl]-4,4-difluoro-2-nitrobutanoate;ethyl 4-[(2S,3R,4S,5S,6R)-6-ethyl-5-methyl-3,4-bis(phenylmethoxy)oxan-2-yl]-4,4-difluoro-2-nitrobutanoate

ethyl (2R)-2-amino-4-[(2R,3R,4S,5S,6R)-6-ethyl-5-methyl-3,4-bis(phenylmethoxy)oxan-2-yl]-4,4-difluorobutanoate;ethyl (2S)-2-amino-4-[(2R,3R,4S,5S,6R)-6-ethyl-5-methyl-3,4-bis(phenylmethoxy)oxan-2-yl]-4,4-difluorobutanoate;ethyl 2-amino-4-[(2R,3R,4S,5S,6R)-6-ethyl-5-methyl-3,4-bis(phenylmethoxy)oxan-2-yl]-4,4-difluorobutanoate;ethyl 2-amino-4-[(2S,3R,4S,5S,6R)-6-ethyl-5-methyl-3,4-bis(phenylmethoxy)oxan-2-yl]-4,4-difluorobutanoate;ethyl 2-cyano-4-[(2R,3R,4S,5S,6R)-6-ethyl-5-methyl-3,4-bis(phenylmethoxy)oxan-2-yl]-4,4-difluorobutanoate;ethyl 4-[(2S,3R,4S,5S,6R)-6-ethyl-3-(methoxymethoxy)-5-methyl-4-phenylmethoxyoxan-2-yl]-4,4-difluoro-2-nitrobutanoate;ethyl 4-[(2R,3R,4S,5S,6R)-6-ethyl-5-methyl-3,4-bis(phenylmethoxy)oxan-2-yl]-4,4-difluoro-2-nitrobutanoate;ethyl 4-[(2S,3R,4S,5S,6R)-6-ethyl-5-methyl-3,4-bis(phenylmethoxy)oxan-2-yl]-4,4-difluoro-2-nitrobutanoate (PubChem CID 160752313) has the molecular formula C220H286F16N8O47 and a molecular weight of 4098.68 g/mol. Its IUPAC name is ethyl (2R)-2-amino-4-[(2R,3R,4S,5S,6R)-6-ethyl-5-methyl-3,4-bis(phenylmethoxy)oxan-2-yl]-4,4-difluorobutanoate;ethyl (2S)-2-amino-4-[(2R,3R,4S,5S,6R)-6-ethyl-5-methyl-3,4-bis(phenylmethoxy)oxan-2-yl]-4,4-difluorobutanoate;ethyl 2-amino-4-[(2R,3R,4S,5S,6R)-6-ethyl-5-methyl-3,4-bis(phenylmethoxy)oxan-2-yl]-4,4-difluorobutanoate;ethyl 2-amino-4-[(2S,3R,4S,5S,6R)-6-ethyl-5-methyl-3,4-bis(phenylmethoxy)oxan-2-yl]-4,4-difluorobutanoate;ethyl 2-cyano-4-[(2R,3R,4S,5S,6R)-6-ethyl-5-methyl-3,4-bis(phenylmethoxy)oxan-2-yl]-4,4-difluorobutanoate;ethyl 4-[(2S,3R,4S,5S,6R)-6-ethyl-3-(methoxymethoxy)-5-methyl-4-phenylmethoxyoxan-2-yl]-4,4-difluoro-2-nitrobutanoate;ethyl 4-[(2R,3R,4S,5S,6R)-6-ethyl-5-methyl-3,4-bis(phenylmethoxy)oxan-2-yl]-4,4-difluoro-2-nitrobutanoate;ethyl 4-[(2S,3R,4S,5S,6R)-6-ethyl-5-methyl-3,4-bis(phenylmethoxy)oxan-2-yl]-4,4-difluoro-2-nitrobutanoate.

Molecular Properties

Compound Nameethyl (2R)-2-amino-4-[(2R,3R,4S,5S,6R)-6-ethyl-5-methyl-3,4-bis(phenylmethoxy)oxan-2-yl]-4,4-difluorobutanoate;ethyl (2S)-2-amino-4-[(2R,3R,4S,5S,6R)-6-ethyl-5-methyl-3,4-bis(phenylmethoxy)oxan-2-yl]-4,4-difluorobutanoate;ethyl 2-amino-4-[(2R,3R,4S,5S,6R)-6-ethyl-5-methyl-3,4-bis(phenylmethoxy)oxan-2-yl]-4,4-difluorobutanoate;ethyl 2-amino-4-[(2S,3R,4S,5S,6R)-6-ethyl-5-methyl-3,4-bis(phenylmethoxy)oxan-2-yl]-4,4-difluorobutanoate;ethyl 2-cyano-4-[(2R,3R,4S,5S,6R)-6-ethyl-5-methyl-3,4-bis(phenylmethoxy)oxan-2-yl]-4,4-difluorobutanoate;ethyl 4-[(2S,3R,4S,5S,6R)-6-ethyl-3-(methoxymethoxy)-5-methyl-4-phenylmethoxyoxan-2-yl]-4,4-difluoro-2-nitrobutanoate;ethyl 4-[(2R,3R,4S,5S,6R)-6-ethyl-5-methyl-3,4-bis(phenylmethoxy)oxan-2-yl]-4,4-difluoro-2-nitrobutanoate;ethyl 4-[(2S,3R,4S,5S,6R)-6-ethyl-5-methyl-3,4-bis(phenylmethoxy)oxan-2-yl]-4,4-difluoro-2-nitrobutanoate
PubChem CID160752313
Molecular FormulaC220H286F16N8O47
Molecular Weight4098.68 g/mol
Exact Mass4096.00
IUPAC Nameethyl (2R)-2-amino-4-[(2R,3R,4S,5S,6R)-6-ethyl-5-methyl-3,4-bis(phenylmethoxy)oxan-2-yl]-4,4-difluorobutanoate;ethyl (2S)-2-amino-4-[(2R,3R,4S,5S,6R)-6-ethyl-5-methyl-3,4-bis(phenylmethoxy)oxan-2-yl]-4,4-difluorobutanoate;ethyl 2-amino-4-[(2R,3R,4S,5S,6R)-6-ethyl-5-methyl-3,4-bis(phenylmethoxy)oxan-2-yl]-4,4-difluorobutanoate;ethyl 2-amino-4-[(2S,3R,4S,5S,6R)-6-ethyl-5-methyl-3,4-bis(phenylmethoxy)oxan-2-yl]-4,4-difluorobutanoate;ethyl 2-cyano-4-[(2R,3R,4S,5S,6R)-6-ethyl-5-methyl-3,4-bis(phenylmethoxy)oxan-2-yl]-4,4-difluorobutanoate;ethyl 4-[(2S,3R,4S,5S,6R)-6-ethyl-3-(methoxymethoxy)-5-methyl-4-phenylmethoxyoxan-2-yl]-4,4-difluoro-2-nitrobutanoate;ethyl 4-[(2R,3R,4S,5S,6R)-6-ethyl-5-methyl-3,4-bis(phenylmethoxy)oxan-2-yl]-4,4-difluoro-2-nitrobutanoate;ethyl 4-[(2S,3R,4S,5S,6R)-6-ethyl-5-methyl-3,4-bis(phenylmethoxy)oxan-2-yl]-4,4-difluoro-2-nitrobutanoate
SMILESCCOC(=O)C(C#N)CC(F)(F)[C@@H]1O[C@H](CC)[C@H](C)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1.CCOC(=O)C(CC(F)(F)[C@@H]1O[C@H](CC)[C@H](C)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1)[N+](=O)[O-].CCOC(=O)C(CC(F)(F)[C@H]1O[C@H](CC)[C@H](C)[C@H](OCc2ccccc2)[C@H]1OCOC)[N+](=O)[O-].CCOC(=O)C(CC(F)(F)[C@H]1O[C@H](CC)[C@H](C)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1)[N+](=O)[O-].CCOC(=O)C(N)CC(F)(F)[C@@H]1O[C@H](CC)[C@H](C)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1.CCOC(=O)C(N)CC(F)(F)[C@H]1O[C@H](CC)[C@H](C)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1.CCOC(=O)[C@@H](N)CC(F)(F)[C@@H]1O[C@H](CC)[C@H](C)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1.CCOC(=O)[C@H](N)CC(F)(F)[C@@H]1O[C@H](CC)[C@H](C)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1
InChIInChI=1S/C29H35F2NO5.2C28H35F2NO7.4C28H37F2NO5.C23H33F2NO8/c1-4-24-20(3)25(35-18-21-12-8-6-9-13-21)26(36-19-22-14-10-7-11-15-22)27(37-24)29(30,31)16-23(17-32)28(33)34-5-2;2*1-4-23-19(3)24(36-17-20-12-8-6-9-13-20)25(37-18-21-14-10-7-11-15-21)26(38-23)28(29,30)16-22(31(33)34)27(32)35-5-2;4*1-4-23-19(3)24(34-17-20-12-8-6-9-13-20)25(35-18-21-14-10-7-11-15-21)26(36-23)28(29,30)16-22(31)27(32)33-5-2;1-5-18-15(3)19(32-13-16-10-8-7-9-11-16)20(33-14-30-4)21(34-18)23(24,25)12-17(26(28)29)22(27)31-6-2/h6-15,20,23-27H,4-5,16,18-19H2,1-3H3;2*6-15,19,22-26H,4-5,16-18H2,1-3H3;4*6-15,19,22-26H,4-5,16-18,31H2,1-3H3;7-11,15,17-21H,5-6,12-14H2,1-4H3/t20-,23?,24+,25-,26+,27+;19-,22?,23+,24-,25+,26+;19-,22?,23+,24-,25+,26-;19-,22?,23+,24-,25+,26+;19-,22?,23+,24-,25+,26-;19-,22+,23+,24-,25+,26+;19-,22-,23+,24-,25+,26+;15-,17?,18+,19-,20+,21-/m00000000/s1
InChIKeyRWZICQMBZOQWGY-JHCKPAMFSA-N
XLogP39.26
TPSA698.44 Ų
H-Bond Donors4
H-Bond Acceptors52
Rotatable Bonds99
Heavy Atoms291
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004098.68
LogP ≤ 539.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1052

Analyze ethyl (2R)-2-amino-4-[(2R,3R,4S,5S,6R)-6-ethyl-5-methyl-3,4-bis(phenylmethoxy)oxan-2-yl]-4,4-difluorobutanoate;ethyl (2S)-2-amino-4-[(2R,3R,4S,5S,6R)-6-ethyl-5-methyl-3,4-bis(phenylmethoxy)oxan-2-yl]-4,4-difluorobutanoate;ethyl 2-amino-4-[(2R,3R,4S,5S,6R)-6-ethyl-5-methyl-3,4-bis(phenylmethoxy)oxan-2-yl]-4,4-difluorobutanoate;ethyl 2-amino-4-[(2S,3R,4S,5S,6R)-6-ethyl-5-methyl-3,4-bis(phenylmethoxy)oxan-2-yl]-4,4-difluorobutanoate;ethyl 2-cyano-4-[(2R,3R,4S,5S,6R)-6-ethyl-5-methyl-3,4-bis(phenylmethoxy)oxan-2-yl]-4,4-difluorobutanoate;ethyl 4-[(2S,3R,4S,5S,6R)-6-ethyl-3-(methoxymethoxy)-5-methyl-4-phenylmethoxyoxan-2-yl]-4,4-difluoro-2-nitrobutanoate;ethyl 4-[(2R,3R,4S,5S,6R)-6-ethyl-5-methyl-3,4-bis(phenylmethoxy)oxan-2-yl]-4,4-difluoro-2-nitrobutanoate;ethyl 4-[(2S,3R,4S,5S,6R)-6-ethyl-5-methyl-3,4-bis(phenylmethoxy)oxan-2-yl]-4,4-difluoro-2-nitrobutanoate with MolForge

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Launch Full Analysis

Related Compounds

ethyl 2-amino-4-[(2R,3R,4S,5S,6R)-6-ethyl-2,5-dimethyl-3,4-bis(phenylmethoxy)oxan-2-yl]-4,4-difluorobutanoate;4-[(2R,3R,4S,5S,6R)-6-ethyl-2,5-dimethyl-3,4-bis(phenylmethoxy)oxan-2-yl]-4,4-difluoro-2-(phenylmethoxycarbonylamino)butanoic acid;ethyl 4-[(2R,3R,4S,5S,6R)-6-ethyl-2,5-dimethyl-3,4-bis(phenylmethoxy)oxan-2-yl]-4,4-difluoro-2-nitrobutanoate;ethyl 4-[(2R,3R,4S,5S,6R)-6-ethyl-2,5-dimethyl-3,4-bis(phenylmethoxy)oxan-2-yl]-4,4-difluoro-2-(phenylmethoxycarbonylamino)butanoate;(2S)-4-[(2S,3R,4S,5S,6R)-6-ethyl-3-(methoxymethoxy)-5-methyl-4-phenylmethoxyoxan-2-yl]-4,4-difluoro-2-(phenylmethoxycarbonylamino)butanoic acid;(2R)-4-[(2S,3R,4S,5S,6R)-6-ethyl-3-(methoxymethoxy)-5-methyl-4-phenylmethoxyoxan-2-yl]-4,4-difluoro-2-(phenylmethoxycarbonylamino)butanoic acid
CID 158174414
carbon dioxide;1-ethoxy-2-[(2R,3R,4S,5S,6R)-6-ethyl-2,5-dimethyl-3,4-bis(phenylmethoxy)oxan-2-yl]-2,2-difluoroethanol;ethyl 4-[(2R,3R,4S,5S,6R)-6-ethyl-2,5-dimethyl-3,4-bis(phenylmethoxy)oxan-2-yl]-4,4-difluoro-2-nitrobutanoate;1-nitropropane
CID 159081036
ethyl 2-amino-4-[(3R,4S,5S,6R)-6-ethyl-5-methyl-3,4-bis(phenylmethoxy)oxan-2-yl]-4,4-difluorobutanoate;ethyl 4-[(3R,4S,5S,6R)-6-ethyl-5-methyl-3,4-bis(phenylmethoxy)oxan-2-yl]-4,4-difluoro-2-nitrobutanoate
CID 160048864
(2R)-2-amino-4,4-difluoro-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]butanoic acid;(2S)-2-amino-4,4-difluoro-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]butanoic acid;2-amino-4,4-difluoro-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]butanoic acid;[(1S)-1-carboxy-3,3-difluoro-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]propyl]azanium;ethyl (2R)-4-[(2S,3R,4S,5S,6R)-3-acetamido-6-ethyl-5-methyl-4-phenylmethoxyoxan-2-yl]-2-amino-4,4-difluorobutanoate;ethyl 4-[(2S,3R,4S,5S,6R)-3-acetamido-6-ethyl-5-methyl-4-phenylmethoxyoxan-2-yl]-2-amino-4,4-difluorobutanoate;ethyl 4-[(2S,3R,4S,5S,6R)-3-acetamido-6-ethyl-5-methyl-4-phenylmethoxyoxan-2-yl]-4,4-difluoro-2-nitrobutanoate;ethyl 4-[(2S,3S,4S,5S,6R)-3-acetamido-6-ethyl-5-methyl-4-phenylmethoxyoxan-2-yl]-4,4-difluoro-2-nitrobutanoate;chloride
CID 161164933
(2R)-2-amino-4,4-difluoro-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]butanoic acid;(2S)-2-amino-4,4-difluoro-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]butanoic acid;2-amino-4,4-difluoro-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]butanoic acid;[(1S)-1-carboxy-3,3-difluoro-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]propyl]azanium;ethyl (2R)-4-[(2S,3R,4S,5S,6R)-3-acetamido-6-ethyl-5-methyl-4-phenylmethoxyoxan-2-yl]-2-amino-4,4-difluorobutanoate;ethyl 4-[(2S,3S,4S,5S,6R)-3-acetamido-6-ethyl-5-methyl-4-phenylmethoxyoxan-2-yl]-2-amino-4,4-difluorobutanoate;ethyl 4-[(2S,3R,4S,5S,6R)-3-acetamido-6-ethyl-5-methyl-4-phenylmethoxyoxan-2-yl]-4,4-difluoro-2-nitrobutanoate;ethyl 4-[(2S,3S,4S,5S,6R)-3-acetamido-6-ethyl-5-methyl-4-phenylmethoxyoxan-2-yl]-4,4-difluoro-2-nitrobutanoate;chloride
CID 161164934
ethyl 2-amino-4-[(2R,3R,4S,5S,6R)-6-ethyl-2,5-dimethyl-3,4-bis(phenylmethoxy)oxan-2-yl]-4,4-difluorobutanoate;ethyl 4-[(2R,3R,4S,5S,6R)-6-ethyl-2,5-dimethyl-3,4-bis(phenylmethoxy)oxan-2-yl]-4,4-difluoro-2-nitrobutanoate
CID 161604502
ethyl 4,4-difluoro-2-nitro-4-[(2R,3R,4S,5S,6R)-2,3,4,5-tetrakis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]butanoate
CID 57410590
ethyl 2-amino-4,4-difluoro-4-[(2R,3R,4S,5S,6R)-2,3,4,5-tetrakis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]butanoate
CID 57410712
ethyl 4,4-difluoro-3-methyl-2-nitro-4-[(2S,3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]butanoate
CID 57411433
ethyl 4,4-difluoro-4-[(2S,3R,4S,5S,6R)-3-(methoxymethoxy)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]-2-nitrobutanoate
CID 57411774

Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-2-amino-4-[(2R,3R,4S,5S,6R)-6-ethyl-5-methyl-3,4-bis(phenylmethoxy)oxan-2-yl]-4,4-difluorobutanoate;ethyl (2S)-2-amino-4-[(2R,3R,4S,5S,6R)-6-ethyl-5-methyl-3,4-bis(phenylmethoxy)oxan-2-yl]-4,4-difluorobutanoate;ethyl 2-amino-4-[(2R,3R,4S,5S,6R)-6-ethyl-5-methyl-3,4-bis(phenylmethoxy)oxan-2-yl]-4,4-difluorobutanoate;ethyl 2-amino-4-[(2S,3R,4S,5S,6R)-6-ethyl-5-methyl-3,4-bis(phenylmethoxy)oxan-2-yl]-4,4-difluorobutanoate;ethyl 2-cyano-4-[(2R,3R,4S,5S,6R)-6-ethyl-5-methyl-3,4-bis(phenylmethoxy)oxan-2-yl]-4,4-difluorobutanoate;ethyl 4-[(2S,3R,4S,5S,6R)-6-ethyl-3-(methoxymethoxy)-5-methyl-4-phenylmethoxyoxan-2-yl]-4,4-difluoro-2-nitrobutanoate;ethyl 4-[(2R,3R,4S,5S,6R)-6-ethyl-5-methyl-3,4-bis(phenylmethoxy)oxan-2-yl]-4,4-difluoro-2-nitrobutanoate;ethyl 4-[(2S,3R,4S,5S,6R)-6-ethyl-5-methyl-3,4-bis(phenylmethoxy)oxan-2-yl]-4,4-difluoro-2-nitrobutanoate?
The IUPAC name of ethyl (2R)-2-amino-4-[(2R,3R,4S,5S,6R)-6-ethyl-5-methyl-3,4-bis(phenylmethoxy)oxan-2-yl]-4,4-difluorobutanoate;ethyl (2S)-2-amino-4-[(2R,3R,4S,5S,6R)-6-ethyl-5-methyl-3,4-bis(phenylmethoxy)oxan-2-yl]-4,4-difluorobutanoate;ethyl 2-amino-4-[(2R,3R,4S,5S,6R)-6-ethyl-5-methyl-3,4-bis(phenylmethoxy)oxan-2-yl]-4,4-difluorobutanoate;ethyl 2-amino-4-[(2S,3R,4S,5S,6R)-6-ethyl-5-methyl-3,4-bis(phenylmethoxy)oxan-2-yl]-4,4-difluorobutanoate;ethyl 2-cyano-4-[(2R,3R,4S,5S,6R)-6-ethyl-5-methyl-3,4-bis(phenylmethoxy)oxan-2-yl]-4,4-difluorobutanoate;ethyl 4-[(2S,3R,4S,5S,6R)-6-ethyl-3-(methoxymethoxy)-5-methyl-4-phenylmethoxyoxan-2-yl]-4,4-difluoro-2-nitrobutanoate;ethyl 4-[(2R,3R,4S,5S,6R)-6-ethyl-5-methyl-3,4-bis(phenylmethoxy)oxan-2-yl]-4,4-difluoro-2-nitrobutanoate;ethyl 4-[(2S,3R,4S,5S,6R)-6-ethyl-5-methyl-3,4-bis(phenylmethoxy)oxan-2-yl]-4,4-difluoro-2-nitrobutanoate (CID 160752313) is ethyl (2R)-2-amino-4-[(2R,3R,4S,5S,6R)-6-ethyl-5-methyl-3,4-bis(phenylmethoxy)oxan-2-yl]-4,4-difluorobutanoate;ethyl (2S)-2-amino-4-[(2R,3R,4S,5S,6R)-6-ethyl-5-methyl-3,4-bis(phenylmethoxy)oxan-2-yl]-4,4-difluorobutanoate;ethyl 2-amino-4-[(2R,3R,4S,5S,6R)-6-ethyl-5-methyl-3,4-bis(phenylmethoxy)oxan-2-yl]-4,4-difluorobutanoate;ethyl 2-amino-4-[(2S,3R,4S,5S,6R)-6-ethyl-5-methyl-3,4-bis(phenylmethoxy)oxan-2-yl]-4,4-difluorobutanoate;ethyl 2-cyano-4-[(2R,3R,4S,5S,6R)-6-ethyl-5-methyl-3,4-bis(phenylmethoxy)oxan-2-yl]-4,4-difluorobutanoate;ethyl 4-[(2S,3R,4S,5S,6R)-6-ethyl-3-(methoxymethoxy)-5-methyl-4-phenylmethoxyoxan-2-yl]-4,4-difluoro-2-nitrobutanoate;ethyl 4-[(2R,3R,4S,5S,6R)-6-ethyl-5-methyl-3,4-bis(phenylmethoxy)oxan-2-yl]-4,4-difluoro-2-nitrobutanoate;ethyl 4-[(2S,3R,4S,5S,6R)-6-ethyl-5-methyl-3,4-bis(phenylmethoxy)oxan-2-yl]-4,4-difluoro-2-nitrobutanoate.
What is the SMILES notation for ethyl (2R)-2-amino-4-[(2R,3R,4S,5S,6R)-6-ethyl-5-methyl-3,4-bis(phenylmethoxy)oxan-2-yl]-4,4-difluorobutanoate;ethyl (2S)-2-amino-4-[(2R,3R,4S,5S,6R)-6-ethyl-5-methyl-3,4-bis(phenylmethoxy)oxan-2-yl]-4,4-difluorobutanoate;ethyl 2-amino-4-[(2R,3R,4S,5S,6R)-6-ethyl-5-methyl-3,4-bis(phenylmethoxy)oxan-2-yl]-4,4-difluorobutanoate;ethyl 2-amino-4-[(2S,3R,4S,5S,6R)-6-ethyl-5-methyl-3,4-bis(phenylmethoxy)oxan-2-yl]-4,4-difluorobutanoate;ethyl 2-cyano-4-[(2R,3R,4S,5S,6R)-6-ethyl-5-methyl-3,4-bis(phenylmethoxy)oxan-2-yl]-4,4-difluorobutanoate;ethyl 4-[(2S,3R,4S,5S,6R)-6-ethyl-3-(methoxymethoxy)-5-methyl-4-phenylmethoxyoxan-2-yl]-4,4-difluoro-2-nitrobutanoate;ethyl 4-[(2R,3R,4S,5S,6R)-6-ethyl-5-methyl-3,4-bis(phenylmethoxy)oxan-2-yl]-4,4-difluoro-2-nitrobutanoate;ethyl 4-[(2S,3R,4S,5S,6R)-6-ethyl-5-methyl-3,4-bis(phenylmethoxy)oxan-2-yl]-4,4-difluoro-2-nitrobutanoate?
The canonical SMILES for ethyl (2R)-2-amino-4-[(2R,3R,4S,5S,6R)-6-ethyl-5-methyl-3,4-bis(phenylmethoxy)oxan-2-yl]-4,4-difluorobutanoate;ethyl (2S)-2-amino-4-[(2R,3R,4S,5S,6R)-6-ethyl-5-methyl-3,4-bis(phenylmethoxy)oxan-2-yl]-4,4-difluorobutanoate;ethyl 2-amino-4-[(2R,3R,4S,5S,6R)-6-ethyl-5-methyl-3,4-bis(phenylmethoxy)oxan-2-yl]-4,4-difluorobutanoate;ethyl 2-amino-4-[(2S,3R,4S,5S,6R)-6-ethyl-5-methyl-3,4-bis(phenylmethoxy)oxan-2-yl]-4,4-difluorobutanoate;ethyl 2-cyano-4-[(2R,3R,4S,5S,6R)-6-ethyl-5-methyl-3,4-bis(phenylmethoxy)oxan-2-yl]-4,4-difluorobutanoate;ethyl 4-[(2S,3R,4S,5S,6R)-6-ethyl-3-(methoxymethoxy)-5-methyl-4-phenylmethoxyoxan-2-yl]-4,4-difluoro-2-nitrobutanoate;ethyl 4-[(2R,3R,4S,5S,6R)-6-ethyl-5-methyl-3,4-bis(phenylmethoxy)oxan-2-yl]-4,4-difluoro-2-nitrobutanoate;ethyl 4-[(2S,3R,4S,5S,6R)-6-ethyl-5-methyl-3,4-bis(phenylmethoxy)oxan-2-yl]-4,4-difluoro-2-nitrobutanoate is CCOC(=O)C(C#N)CC(F)(F)[C@@H]1O[C@H](CC)[C@H](C)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1.CCOC(=O)C(CC(F)(F)[C@@H]1O[C@H](CC)[C@H](C)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1)[N+](=O)[O-].CCOC(=O)C(CC(F)(F)[C@H]1O[C@H](CC)[C@H](C)[C@H](OCc2ccccc2)[C@H]1OCOC)[N+](=O)[O-].CCOC(=O)C(CC(F)(F)[C@H]1O[C@H](CC)[C@H](C)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1)[N+](=O)[O-].CCOC(=O)C(N)CC(F)(F)[C@@H]1O[C@H](CC)[C@H](C)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1.CCOC(=O)C(N)CC(F)(F)[C@H]1O[C@H](CC)[C@H](C)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1.CCOC(=O)[C@@H](N)CC(F)(F)[C@@H]1O[C@H](CC)[C@H](C)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1.CCOC(=O)[C@H](N)CC(F)(F)[C@@H]1O[C@H](CC)[C@H](C)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1.
What is the InChIKey of ethyl (2R)-2-amino-4-[(2R,3R,4S,5S,6R)-6-ethyl-5-methyl-3,4-bis(phenylmethoxy)oxan-2-yl]-4,4-difluorobutanoate;ethyl (2S)-2-amino-4-[(2R,3R,4S,5S,6R)-6-ethyl-5-methyl-3,4-bis(phenylmethoxy)oxan-2-yl]-4,4-difluorobutanoate;ethyl 2-amino-4-[(2R,3R,4S,5S,6R)-6-ethyl-5-methyl-3,4-bis(phenylmethoxy)oxan-2-yl]-4,4-difluorobutanoate;ethyl 2-amino-4-[(2S,3R,4S,5S,6R)-6-ethyl-5-methyl-3,4-bis(phenylmethoxy)oxan-2-yl]-4,4-difluorobutanoate;ethyl 2-cyano-4-[(2R,3R,4S,5S,6R)-6-ethyl-5-methyl-3,4-bis(phenylmethoxy)oxan-2-yl]-4,4-difluorobutanoate;ethyl 4-[(2S,3R,4S,5S,6R)-6-ethyl-3-(methoxymethoxy)-5-methyl-4-phenylmethoxyoxan-2-yl]-4,4-difluoro-2-nitrobutanoate;ethyl 4-[(2R,3R,4S,5S,6R)-6-ethyl-5-methyl-3,4-bis(phenylmethoxy)oxan-2-yl]-4,4-difluoro-2-nitrobutanoate;ethyl 4-[(2S,3R,4S,5S,6R)-6-ethyl-5-methyl-3,4-bis(phenylmethoxy)oxan-2-yl]-4,4-difluoro-2-nitrobutanoate?
The InChIKey is RWZICQMBZOQWGY-JHCKPAMFSA-N. The full InChI is InChI=1S/C29H35F2NO5.2C28H35F2NO7.4C28H37F2NO5.C23H33F2NO8/c1-4-24-20(3)25(35-18-21-12-8-6-9-13-21)26(36-19-22-14-10-7-11-15-22)27(37-24)29(30,31)16-23(17-32)28(33)34-5-2;2*1-4-23-19(3)24(36-17-20-12-8-6-9-13-20)25(37-18-21-14-10-7-11-15-21)26(38-23)28(29,30)16-22(31(33)34)27(32)35-5-2;4*1-4-23-19(3)24(34-17-20-12-8-6-9-13-20)25(35-18-21-14-10-7-11-15-21)26(36-23)28(29,30)16-22(31)27(32)33-5-2;1-5-18-15(3)19(32-13-16-10-8-7-9-11-16)20(33-14-30-4)21(34-18)23(24,25)12-17(26(28)29)22(27)31-6-2/h6-15,20,23-27H,4-5,16,18-19H2,1-3H3;2*6-15,19,22-26H,4-5,16-18H2,1-3H3;4*6-15,19,22-26H,4-5,16-18,31H2,1-3H3;7-11,15,17-21H,5-6,12-14H2,1-4H3/t20-,23?,24+,25-,26+,27+;19-,22?,23+,24-,25+,26+;19-,22?,23+,24-,25+,26-;19-,22?,23+,24-,25+,26+;19-,22?,23+,24-,25+,26-;19-,22+,23+,24-,25+,26+;19-,22-,23+,24-,25+,26+;15-,17?,18+,19-,20+,21-/m00000000/s1.
What are the key properties of ethyl (2R)-2-amino-4-[(2R,3R,4S,5S,6R)-6-ethyl-5-methyl-3,4-bis(phenylmethoxy)oxan-2-yl]-4,4-difluorobutanoate;ethyl (2S)-2-amino-4-[(2R,3R,4S,5S,6R)-6-ethyl-5-methyl-3,4-bis(phenylmethoxy)oxan-2-yl]-4,4-difluorobutanoate;ethyl 2-amino-4-[(2R,3R,4S,5S,6R)-6-ethyl-5-methyl-3,4-bis(phenylmethoxy)oxan-2-yl]-4,4-difluorobutanoate;ethyl 2-amino-4-[(2S,3R,4S,5S,6R)-6-ethyl-5-methyl-3,4-bis(phenylmethoxy)oxan-2-yl]-4,4-difluorobutanoate;ethyl 2-cyano-4-[(2R,3R,4S,5S,6R)-6-ethyl-5-methyl-3,4-bis(phenylmethoxy)oxan-2-yl]-4,4-difluorobutanoate;ethyl 4-[(2S,3R,4S,5S,6R)-6-ethyl-3-(methoxymethoxy)-5-methyl-4-phenylmethoxyoxan-2-yl]-4,4-difluoro-2-nitrobutanoate;ethyl 4-[(2R,3R,4S,5S,6R)-6-ethyl-5-methyl-3,4-bis(phenylmethoxy)oxan-2-yl]-4,4-difluoro-2-nitrobutanoate;ethyl 4-[(2S,3R,4S,5S,6R)-6-ethyl-5-methyl-3,4-bis(phenylmethoxy)oxan-2-yl]-4,4-difluoro-2-nitrobutanoate?
ethyl (2R)-2-amino-4-[(2R,3R,4S,5S,6R)-6-ethyl-5-methyl-3,4-bis(phenylmethoxy)oxan-2-yl]-4,4-difluorobutanoate;ethyl (2S)-2-amino-4-[(2R,3R,4S,5S,6R)-6-ethyl-5-methyl-3,4-bis(phenylmethoxy)oxan-2-yl]-4,4-difluorobutanoate;ethyl 2-amino-4-[(2R,3R,4S,5S,6R)-6-ethyl-5-methyl-3,4-bis(phenylmethoxy)oxan-2-yl]-4,4-difluorobutanoate;ethyl 2-amino-4-[(2S,3R,4S,5S,6R)-6-ethyl-5-methyl-3,4-bis(phenylmethoxy)oxan-2-yl]-4,4-difluorobutanoate;ethyl 2-cyano-4-[(2R,3R,4S,5S,6R)-6-ethyl-5-methyl-3,4-bis(phenylmethoxy)oxan-2-yl]-4,4-difluorobutanoate;ethyl 4-[(2S,3R,4S,5S,6R)-6-ethyl-3-(methoxymethoxy)-5-methyl-4-phenylmethoxyoxan-2-yl]-4,4-difluoro-2-nitrobutanoate;ethyl 4-[(2R,3R,4S,5S,6R)-6-ethyl-5-methyl-3,4-bis(phenylmethoxy)oxan-2-yl]-4,4-difluoro-2-nitrobutanoate;ethyl 4-[(2S,3R,4S,5S,6R)-6-ethyl-5-methyl-3,4-bis(phenylmethoxy)oxan-2-yl]-4,4-difluoro-2-nitrobutanoate has a molecular weight of 4098.68 g/mol, XLogP of 39.26, 99 rotatable bonds, 4 hydrogen bond donors, and 52 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-2-amino-4-[(2R,3R,4S,5S,6R)-6-ethyl-5-methyl-3,4-bis(phenylmethoxy)oxan-2-yl]-4,4-difluorobutanoate;ethyl (2S)-2-amino-4-[(2R,3R,4S,5S,6R)-6-ethyl-5-methyl-3,4-bis(phenylmethoxy)oxan-2-yl]-4,4-difluorobutanoate;ethyl 2-amino-4-[(2R,3R,4S,5S,6R)-6-ethyl-5-methyl-3,4-bis(phenylmethoxy)oxan-2-yl]-4,4-difluorobutanoate;ethyl 2-amino-4-[(2S,3R,4S,5S,6R)-6-ethyl-5-methyl-3,4-bis(phenylmethoxy)oxan-2-yl]-4,4-difluorobutanoate;ethyl 2-cyano-4-[(2R,3R,4S,5S,6R)-6-ethyl-5-methyl-3,4-bis(phenylmethoxy)oxan-2-yl]-4,4-difluorobutanoate;ethyl 4-[(2S,3R,4S,5S,6R)-6-ethyl-3-(methoxymethoxy)-5-methyl-4-phenylmethoxyoxan-2-yl]-4,4-difluoro-2-nitrobutanoate;ethyl 4-[(2R,3R,4S,5S,6R)-6-ethyl-5-methyl-3,4-bis(phenylmethoxy)oxan-2-yl]-4,4-difluoro-2-nitrobutanoate;ethyl 4-[(2S,3R,4S,5S,6R)-6-ethyl-5-methyl-3,4-bis(phenylmethoxy)oxan-2-yl]-4,4-difluoro-2-nitrobutanoate is sourced from PubChem (CID 160752313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).