dipotassium;(2S)-3-aminopropane-1,2-diol;tert-butyl N-[(2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropyl]carbamate;tert-butyl N-[(2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethoxy)propyl]carbamate;tert-butyl-chloro-dimethylsilane;tert-butyl N-[(2S)-2,3-dihydroxypropyl]carbamate;tert-butyl N-[(2S)-3-hydroxy-2-(methoxymethoxy)propyl]carbamate;tert-butyl (5S)-5-(methoxymethoxy)-2,2-dioxooxathiazinane-3-carboxylate;chloro(methoxy)methane;deuterio(fluoro)methane;ethyl 3-amino-2-[(3S,7R)-8-[(5-fluoro-2-oxo-1H-pyridin-3-yl)methyl]-2-oxa-8,10,12-triazatricyclo[7.4.0.03,7]trideca-1(13),9,11-trien-11-yl]prop-2-enoate;ethyl (11S,15R)-16-[[5-fluoro-2-[(2S)-2-(methoxymethoxy)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]-3-pyridinyl]methyl]-10-oxa-2,6,7,16-tetrazatetracyclo[7.7.0.03,7.011,15]hexadeca-1,3,5,8-tetraene-4-carboxylate;(3S,7R,18S)-12-fluoro-18-hydroxy-2,16-dioxa-8,14,20,24,25,27-hexazahexacyclo[23.3.1.03,7.08,28.010,15.022,26]nonacosa-1(29),10(15),11,13,22(26),23,27-heptaen-21-one;hydride;methanol;oxido formate;oxolane

C151H259Cl2F4K2N23O50SSi3 — CID 157152916

IUPACdipotassium;(2S)-3-aminopropane-1,2-diol;tert-butyl N-[(2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropyl]carbamate;tert-butyl N-[(2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethoxy)propyl]carbamate;tert-butyl-chloro-dimethylsilane;tert-butyl N-[(2S)-2,3-dihydroxypropyl]carbamate;tert-butyl N-[(2S)-3-hydroxy-2-(methoxymethoxy)propyl]carbamate;tert-butyl (5S)-5-(methoxymethoxy)-2,2-dioxooxathiazinane-3-carboxylate;chloro(methoxy)methane;deuterio(fluoro)methane;ethyl 3-amino-2-[(3S,7R)-8-[(5-fluoro-2-oxo-1H-pyridin-3-yl)methyl]-2-oxa-8,10,12-triazatricyclo[7.4.0.03,7]trideca-1(13),9,11-trien-11-yl]prop-2-enoate;ethyl (11S,15R)-16-[[5-fluoro-2-[(2S)-2-(methoxymethoxy)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]-3-pyridinyl]methyl]-10-oxa-2,6,7,16-tetrazatetracyclo[7.7.0.03,7.011,15]hexadeca-1,3,5,8-tetraene-4-carboxylate;(3S,7R,18S)-12-fluoro-18-hydroxy-2,16-dioxa-8,14,20,24,25,27-hexazahexacyclo[23.3.1.03,7.08,28.010,15.022,26]nonacosa-1(29),10(15),11,13,22(26),23,27-heptaen-21-one;hydride;methanol;oxido formate;oxolane
SMILESC1CCOC1.C1CCOC1.CC(C)(C)OC(=O)NC[C@H](O)CO.CC(C)(C)OC(=O)NC[C@H](O)CO[Si](C)(C)C(C)(C)C.CC(C)(C)[Si](C)(C)Cl.CCOC(=O)C(=CN)c1ncc2c(n1)N(Cc1cc(F)c[nH]c1=O)[C@@H]1CCC[C@@H]1O2.CCOC(=O)c1cnn2cc3c(nc12)N(Cc1cc(F)cnc1OC[C@H](CNC(=O)OC(C)(C)C)OCOC)[C@@H]1CCC[C@@H]1O3.CO.COCCl.COCO[C@@H](CNC(=O)OC(C)(C)C)CO[Si](C)(C)C(C)(C)C.COCO[C@@H]1COS(=O)(=O)N(C(=O)OC(C)(C)C)C1.COCO[C@H](CO)CNC(=O)OC(C)(C)C.NC[C@H](O)CO.O=C1NC[C@H](O)COc2ncc(F)cc2CN2c3nc4c1cnn4cc3O[C@H]1CCC[C@H]12.O=CO[O-].[2H]CF.[H-].[K+].[K+]
InChIInChI=1S/C30H39FN6O8.C21H21FN6O4.C20H22FN5O4.C16H35NO5Si.C14H31NO4Si.C10H19NO7S.C10H21NO5.C8H17NO4.C6H15ClSi.2C4H8O.C3H9NO2.C2H5ClO.CH3F.CH2O3.CH4O.2K.H/c1-6-41-28(38)21-13-34-37-15-24-26(35-25(21)37)36(22-8-7-9-23(22)44-24)14-18-10-19(31)11-32-27(18)42-16-20(43-17-40-5)12-33-29(39)45-30(2,3)4;22-12-4-11-8-27-15-2-1-3-16(15)32-17-9-28-18(26-19(17)27)14(7-25-28)20(30)23-6-13(29)10-31-21(11)24-5-12;1-2-29-20(28)13(7-22)17-23-9-16-18(25-17)26(14-4-3-5-15(14)30-16)10-11-6-12(21)8-24-19(11)27;1-15(2,3)22-14(18)17-10-13(20-12-19-7)11-21-23(8,9)16(4,5)6;1-13(2,3)19-12(17)15-9-11(16)10-18-20(7,8)14(4,5)6;1-10(2,3)18-9(12)11-5-8(16-7-15-4)6-17-19(11,13)14;1-10(2,3)16-9(13)11-5-8(6-12)15-7-14-4;1-8(2,3)13-7(12)9-4-6(11)5-10;1-6(2,3)8(4,5)7;2*1-2-4-5-3-1;4-1-3(6)2-5;1-4-2-3;1-2;2-1-4-3;1-2;;;/h10-11,13,15,20,22-23H,6-9,12,14,16-17H2,1-5H3,(H,33,39);4-5,7,9,13,15-16,29H,1-3,6,8,10H2,(H,23,30);6-9,14-15H,2-5,10,22H2,1H3,(H,24,27);13H,10-12H2,1-9H3,(H,17,18);11,16H,9-10H2,1-8H3,(H,15,17);8H,5-7H2,1-4H3;8,12H,5-7H2,1-4H3,(H,11,13);6,10-11H,4-5H2,1-3H3,(H,9,12);1-5H3;2*1-4H2;3,5-6H,1-2,4H2;2H2,1H3;1H3;1,3H;2H,1H3;;;/q;;;;;;;;;;;;;;;;2*+1;-1/p-1/t20-,22+,23-;13-,15+,16-;14-,15+;13-;11-;2*8-;6-;;;;3-;;;;;;;/m00100000...0......./s1/i;;;;;;;;;;;;;1D;;;;;
InChIKeyALFZQTJPADSEFE-FIZQCAGESA-M
MW3539.27 g/mol
LogP10.17
Rot. Bonds46

About dipotassium;(2S)-3-aminopropane-1,2-diol;tert-butyl N-[(2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropyl]carbamate;tert-butyl N-[(2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethoxy)propyl]carbamate;tert-butyl-chloro-dimethylsilane;tert-butyl N-[(2S)-2,3-dihydroxypropyl]carbamate;tert-butyl N-[(2S)-3-hydroxy-2-(methoxymethoxy)propyl]carbamate;tert-butyl (5S)-5-(methoxymethoxy)-2,2-dioxooxathiazinane-3-carboxylate;chloro(methoxy)methane;deuterio(fluoro)methane;ethyl 3-amino-2-[(3S,7R)-8-[(5-fluoro-2-oxo-1H-pyridin-3-yl)methyl]-2-oxa-8,10,12-triazatricyclo[7.4.0.03,7]trideca-1(13),9,11-trien-11-yl]prop-2-enoate;ethyl (11S,15R)-16-[[5-fluoro-2-[(2S)-2-(methoxymethoxy)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]-3-pyridinyl]methyl]-10-oxa-2,6,7,16-tetrazatetracyclo[7.7.0.03,7.011,15]hexadeca-1,3,5,8-tetraene-4-carboxylate;(3S,7R,18S)-12-fluoro-18-hydroxy-2,16-dioxa-8,14,20,24,25,27-hexazahexacyclo[23.3.1.03,7.08,28.010,15.022,26]nonacosa-1(29),10(15),11,13,22(26),23,27-heptaen-21-one;hydride;methanol;oxido formate;oxolane

dipotassium;(2S)-3-aminopropane-1,2-diol;tert-butyl N-[(2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropyl]carbamate;tert-butyl N-[(2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethoxy)propyl]carbamate;tert-butyl-chloro-dimethylsilane;tert-butyl N-[(2S)-2,3-dihydroxypropyl]carbamate;tert-butyl N-[(2S)-3-hydroxy-2-(methoxymethoxy)propyl]carbamate;tert-butyl (5S)-5-(methoxymethoxy)-2,2-dioxooxathiazinane-3-carboxylate;chloro(methoxy)methane;deuterio(fluoro)methane;ethyl 3-amino-2-[(3S,7R)-8-[(5-fluoro-2-oxo-1H-pyridin-3-yl)methyl]-2-oxa-8,10,12-triazatricyclo[7.4.0.03,7]trideca-1(13),9,11-trien-11-yl]prop-2-enoate;ethyl (11S,15R)-16-[[5-fluoro-2-[(2S)-2-(methoxymethoxy)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]-3-pyridinyl]methyl]-10-oxa-2,6,7,16-tetrazatetracyclo[7.7.0.03,7.011,15]hexadeca-1,3,5,8-tetraene-4-carboxylate;(3S,7R,18S)-12-fluoro-18-hydroxy-2,16-dioxa-8,14,20,24,25,27-hexazahexacyclo[23.3.1.03,7.08,28.010,15.022,26]nonacosa-1(29),10(15),11,13,22(26),23,27-heptaen-21-one;hydride;methanol;oxido formate;oxolane (PubChem CID 157152916) has the molecular formula C151H259Cl2F4K2N23O50SSi3 and a molecular weight of 3539.27 g/mol. Its IUPAC name is dipotassium;(2S)-3-aminopropane-1,2-diol;tert-butyl N-[(2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropyl]carbamate;tert-butyl N-[(2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethoxy)propyl]carbamate;tert-butyl-chloro-dimethylsilane;tert-butyl N-[(2S)-2,3-dihydroxypropyl]carbamate;tert-butyl N-[(2S)-3-hydroxy-2-(methoxymethoxy)propyl]carbamate;tert-butyl (5S)-5-(methoxymethoxy)-2,2-dioxooxathiazinane-3-carboxylate;chloro(methoxy)methane;deuterio(fluoro)methane;ethyl 3-amino-2-[(3S,7R)-8-[(5-fluoro-2-oxo-1H-pyridin-3-yl)methyl]-2-oxa-8,10,12-triazatricyclo[7.4.0.03,7]trideca-1(13),9,11-trien-11-yl]prop-2-enoate;ethyl (11S,15R)-16-[[5-fluoro-2-[(2S)-2-(methoxymethoxy)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]-3-pyridinyl]methyl]-10-oxa-2,6,7,16-tetrazatetracyclo[7.7.0.03,7.011,15]hexadeca-1,3,5,8-tetraene-4-carboxylate;(3S,7R,18S)-12-fluoro-18-hydroxy-2,16-dioxa-8,14,20,24,25,27-hexazahexacyclo[23.3.1.03,7.08,28.010,15.022,26]nonacosa-1(29),10(15),11,13,22(26),23,27-heptaen-21-one;hydride;methanol;oxido formate;oxolane.

Molecular Properties

Compound Namedipotassium;(2S)-3-aminopropane-1,2-diol;tert-butyl N-[(2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropyl]carbamate;tert-butyl N-[(2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethoxy)propyl]carbamate;tert-butyl-chloro-dimethylsilane;tert-butyl N-[(2S)-2,3-dihydroxypropyl]carbamate;tert-butyl N-[(2S)-3-hydroxy-2-(methoxymethoxy)propyl]carbamate;tert-butyl (5S)-5-(methoxymethoxy)-2,2-dioxooxathiazinane-3-carboxylate;chloro(methoxy)methane;deuterio(fluoro)methane;ethyl 3-amino-2-[(3S,7R)-8-[(5-fluoro-2-oxo-1H-pyridin-3-yl)methyl]-2-oxa-8,10,12-triazatricyclo[7.4.0.03,7]trideca-1(13),9,11-trien-11-yl]prop-2-enoate;ethyl (11S,15R)-16-[[5-fluoro-2-[(2S)-2-(methoxymethoxy)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]-3-pyridinyl]methyl]-10-oxa-2,6,7,16-tetrazatetracyclo[7.7.0.03,7.011,15]hexadeca-1,3,5,8-tetraene-4-carboxylate;(3S,7R,18S)-12-fluoro-18-hydroxy-2,16-dioxa-8,14,20,24,25,27-hexazahexacyclo[23.3.1.03,7.08,28.010,15.022,26]nonacosa-1(29),10(15),11,13,22(26),23,27-heptaen-21-one;hydride;methanol;oxido formate;oxolane
PubChem CID157152916
Molecular FormulaC151H259Cl2F4K2N23O50SSi3
Molecular Weight3539.27 g/mol
Exact Mass3535.61
IUPAC Namedipotassium;(2S)-3-aminopropane-1,2-diol;tert-butyl N-[(2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropyl]carbamate;tert-butyl N-[(2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethoxy)propyl]carbamate;tert-butyl-chloro-dimethylsilane;tert-butyl N-[(2S)-2,3-dihydroxypropyl]carbamate;tert-butyl N-[(2S)-3-hydroxy-2-(methoxymethoxy)propyl]carbamate;tert-butyl (5S)-5-(methoxymethoxy)-2,2-dioxooxathiazinane-3-carboxylate;chloro(methoxy)methane;deuterio(fluoro)methane;ethyl 3-amino-2-[(3S,7R)-8-[(5-fluoro-2-oxo-1H-pyridin-3-yl)methyl]-2-oxa-8,10,12-triazatricyclo[7.4.0.03,7]trideca-1(13),9,11-trien-11-yl]prop-2-enoate;ethyl (11S,15R)-16-[[5-fluoro-2-[(2S)-2-(methoxymethoxy)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]-3-pyridinyl]methyl]-10-oxa-2,6,7,16-tetrazatetracyclo[7.7.0.03,7.011,15]hexadeca-1,3,5,8-tetraene-4-carboxylate;(3S,7R,18S)-12-fluoro-18-hydroxy-2,16-dioxa-8,14,20,24,25,27-hexazahexacyclo[23.3.1.03,7.08,28.010,15.022,26]nonacosa-1(29),10(15),11,13,22(26),23,27-heptaen-21-one;hydride;methanol;oxido formate;oxolane
SMILESC1CCOC1.C1CCOC1.CC(C)(C)OC(=O)NC[C@H](O)CO.CC(C)(C)OC(=O)NC[C@H](O)CO[Si](C)(C)C(C)(C)C.CC(C)(C)[Si](C)(C)Cl.CCOC(=O)C(=CN)c1ncc2c(n1)N(Cc1cc(F)c[nH]c1=O)[C@@H]1CCC[C@@H]1O2.CCOC(=O)c1cnn2cc3c(nc12)N(Cc1cc(F)cnc1OC[C@H](CNC(=O)OC(C)(C)C)OCOC)[C@@H]1CCC[C@@H]1O3.CO.COCCl.COCO[C@@H](CNC(=O)OC(C)(C)C)CO[Si](C)(C)C(C)(C)C.COCO[C@@H]1COS(=O)(=O)N(C(=O)OC(C)(C)C)C1.COCO[C@H](CO)CNC(=O)OC(C)(C)C.NC[C@H](O)CO.O=C1NC[C@H](O)COc2ncc(F)cc2CN2c3nc4c1cnn4cc3O[C@H]1CCC[C@H]12.O=CO[O-].[2H]CF.[H-].[K+].[K+]
InChIInChI=1S/C30H39FN6O8.C21H21FN6O4.C20H22FN5O4.C16H35NO5Si.C14H31NO4Si.C10H19NO7S.C10H21NO5.C8H17NO4.C6H15ClSi.2C4H8O.C3H9NO2.C2H5ClO.CH3F.CH2O3.CH4O.2K.H/c1-6-41-28(38)21-13-34-37-15-24-26(35-25(21)37)36(22-8-7-9-23(22)44-24)14-18-10-19(31)11-32-27(18)42-16-20(43-17-40-5)12-33-29(39)45-30(2,3)4;22-12-4-11-8-27-15-2-1-3-16(15)32-17-9-28-18(26-19(17)27)14(7-25-28)20(30)23-6-13(29)10-31-21(11)24-5-12;1-2-29-20(28)13(7-22)17-23-9-16-18(25-17)26(14-4-3-5-15(14)30-16)10-11-6-12(21)8-24-19(11)27;1-15(2,3)22-14(18)17-10-13(20-12-19-7)11-21-23(8,9)16(4,5)6;1-13(2,3)19-12(17)15-9-11(16)10-18-20(7,8)14(4,5)6;1-10(2,3)18-9(12)11-5-8(16-7-15-4)6-17-19(11,13)14;1-10(2,3)16-9(13)11-5-8(6-12)15-7-14-4;1-8(2,3)13-7(12)9-4-6(11)5-10;1-6(2,3)8(4,5)7;2*1-2-4-5-3-1;4-1-3(6)2-5;1-4-2-3;1-2;2-1-4-3;1-2;;;/h10-11,13,15,20,22-23H,6-9,12,14,16-17H2,1-5H3,(H,33,39);4-5,7,9,13,15-16,29H,1-3,6,8,10H2,(H,23,30);6-9,14-15H,2-5,10,22H2,1H3,(H,24,27);13H,10-12H2,1-9H3,(H,17,18);11,16H,9-10H2,1-8H3,(H,15,17);8H,5-7H2,1-4H3;8,12H,5-7H2,1-4H3,(H,11,13);6,10-11H,4-5H2,1-3H3,(H,9,12);1-5H3;2*1-4H2;3,5-6H,1-2,4H2;2H2,1H3;1H3;1,3H;2H,1H3;;;/q;;;;;;;;;;;;;;;;2*+1;-1/p-1/t20-,22+,23-;13-,15+,16-;14-,15+;13-;11-;2*8-;6-;;;;3-;;;;;;;/m00100000...0......./s1/i;;;;;;;;;;;;;1D;;;;;
InChIKeyALFZQTJPADSEFE-FIZQCAGESA-M
XLogP10.17
TPSA930.16 Ų
H-Bond Donors17
H-Bond Acceptors65
Rotatable Bonds46
Heavy Atoms236
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003539.27
LogP ≤ 510.17
H-Bond Donors ≤ 517
H-Bond Acceptors ≤ 1065

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze dipotassium;(2S)-3-aminopropane-1,2-diol;tert-butyl N-[(2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropyl]carbamate;tert-butyl N-[(2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethoxy)propyl]carbamate;tert-butyl-chloro-dimethylsilane;tert-butyl N-[(2S)-2,3-dihydroxypropyl]carbamate;tert-butyl N-[(2S)-3-hydroxy-2-(methoxymethoxy)propyl]carbamate;tert-butyl (5S)-5-(methoxymethoxy)-2,2-dioxooxathiazinane-3-carboxylate;chloro(methoxy)methane;deuterio(fluoro)methane;ethyl 3-amino-2-[(3S,7R)-8-[(5-fluoro-2-oxo-1H-pyridin-3-yl)methyl]-2-oxa-8,10,12-triazatricyclo[7.4.0.03,7]trideca-1(13),9,11-trien-11-yl]prop-2-enoate;ethyl (11S,15R)-16-[[5-fluoro-2-[(2S)-2-(methoxymethoxy)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]-3-pyridinyl]methyl]-10-oxa-2,6,7,16-tetrazatetracyclo[7.7.0.03,7.011,15]hexadeca-1,3,5,8-tetraene-4-carboxylate;(3S,7R,18S)-12-fluoro-18-hydroxy-2,16-dioxa-8,14,20,24,25,27-hexazahexacyclo[23.3.1.03,7.08,28.010,15.022,26]nonacosa-1(29),10(15),11,13,22(26),23,27-heptaen-21-one;hydride;methanol;oxido formate;oxolane with MolForge

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Frequently Asked Questions

What is the IUPAC name of dipotassium;(2S)-3-aminopropane-1,2-diol;tert-butyl N-[(2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropyl]carbamate;tert-butyl N-[(2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethoxy)propyl]carbamate;tert-butyl-chloro-dimethylsilane;tert-butyl N-[(2S)-2,3-dihydroxypropyl]carbamate;tert-butyl N-[(2S)-3-hydroxy-2-(methoxymethoxy)propyl]carbamate;tert-butyl (5S)-5-(methoxymethoxy)-2,2-dioxooxathiazinane-3-carboxylate;chloro(methoxy)methane;deuterio(fluoro)methane;ethyl 3-amino-2-[(3S,7R)-8-[(5-fluoro-2-oxo-1H-pyridin-3-yl)methyl]-2-oxa-8,10,12-triazatricyclo[7.4.0.03,7]trideca-1(13),9,11-trien-11-yl]prop-2-enoate;ethyl (11S,15R)-16-[[5-fluoro-2-[(2S)-2-(methoxymethoxy)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]-3-pyridinyl]methyl]-10-oxa-2,6,7,16-tetrazatetracyclo[7.7.0.03,7.011,15]hexadeca-1,3,5,8-tetraene-4-carboxylate;(3S,7R,18S)-12-fluoro-18-hydroxy-2,16-dioxa-8,14,20,24,25,27-hexazahexacyclo[23.3.1.03,7.08,28.010,15.022,26]nonacosa-1(29),10(15),11,13,22(26),23,27-heptaen-21-one;hydride;methanol;oxido formate;oxolane?
The IUPAC name of dipotassium;(2S)-3-aminopropane-1,2-diol;tert-butyl N-[(2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropyl]carbamate;tert-butyl N-[(2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethoxy)propyl]carbamate;tert-butyl-chloro-dimethylsilane;tert-butyl N-[(2S)-2,3-dihydroxypropyl]carbamate;tert-butyl N-[(2S)-3-hydroxy-2-(methoxymethoxy)propyl]carbamate;tert-butyl (5S)-5-(methoxymethoxy)-2,2-dioxooxathiazinane-3-carboxylate;chloro(methoxy)methane;deuterio(fluoro)methane;ethyl 3-amino-2-[(3S,7R)-8-[(5-fluoro-2-oxo-1H-pyridin-3-yl)methyl]-2-oxa-8,10,12-triazatricyclo[7.4.0.03,7]trideca-1(13),9,11-trien-11-yl]prop-2-enoate;ethyl (11S,15R)-16-[[5-fluoro-2-[(2S)-2-(methoxymethoxy)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]-3-pyridinyl]methyl]-10-oxa-2,6,7,16-tetrazatetracyclo[7.7.0.03,7.011,15]hexadeca-1,3,5,8-tetraene-4-carboxylate;(3S,7R,18S)-12-fluoro-18-hydroxy-2,16-dioxa-8,14,20,24,25,27-hexazahexacyclo[23.3.1.03,7.08,28.010,15.022,26]nonacosa-1(29),10(15),11,13,22(26),23,27-heptaen-21-one;hydride;methanol;oxido formate;oxolane (CID 157152916) is dipotassium;(2S)-3-aminopropane-1,2-diol;tert-butyl N-[(2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropyl]carbamate;tert-butyl N-[(2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethoxy)propyl]carbamate;tert-butyl-chloro-dimethylsilane;tert-butyl N-[(2S)-2,3-dihydroxypropyl]carbamate;tert-butyl N-[(2S)-3-hydroxy-2-(methoxymethoxy)propyl]carbamate;tert-butyl (5S)-5-(methoxymethoxy)-2,2-dioxooxathiazinane-3-carboxylate;chloro(methoxy)methane;deuterio(fluoro)methane;ethyl 3-amino-2-[(3S,7R)-8-[(5-fluoro-2-oxo-1H-pyridin-3-yl)methyl]-2-oxa-8,10,12-triazatricyclo[7.4.0.03,7]trideca-1(13),9,11-trien-11-yl]prop-2-enoate;ethyl (11S,15R)-16-[[5-fluoro-2-[(2S)-2-(methoxymethoxy)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]-3-pyridinyl]methyl]-10-oxa-2,6,7,16-tetrazatetracyclo[7.7.0.03,7.011,15]hexadeca-1,3,5,8-tetraene-4-carboxylate;(3S,7R,18S)-12-fluoro-18-hydroxy-2,16-dioxa-8,14,20,24,25,27-hexazahexacyclo[23.3.1.03,7.08,28.010,15.022,26]nonacosa-1(29),10(15),11,13,22(26),23,27-heptaen-21-one;hydride;methanol;oxido formate;oxolane.
What is the SMILES notation for dipotassium;(2S)-3-aminopropane-1,2-diol;tert-butyl N-[(2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropyl]carbamate;tert-butyl N-[(2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethoxy)propyl]carbamate;tert-butyl-chloro-dimethylsilane;tert-butyl N-[(2S)-2,3-dihydroxypropyl]carbamate;tert-butyl N-[(2S)-3-hydroxy-2-(methoxymethoxy)propyl]carbamate;tert-butyl (5S)-5-(methoxymethoxy)-2,2-dioxooxathiazinane-3-carboxylate;chloro(methoxy)methane;deuterio(fluoro)methane;ethyl 3-amino-2-[(3S,7R)-8-[(5-fluoro-2-oxo-1H-pyridin-3-yl)methyl]-2-oxa-8,10,12-triazatricyclo[7.4.0.03,7]trideca-1(13),9,11-trien-11-yl]prop-2-enoate;ethyl (11S,15R)-16-[[5-fluoro-2-[(2S)-2-(methoxymethoxy)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]-3-pyridinyl]methyl]-10-oxa-2,6,7,16-tetrazatetracyclo[7.7.0.03,7.011,15]hexadeca-1,3,5,8-tetraene-4-carboxylate;(3S,7R,18S)-12-fluoro-18-hydroxy-2,16-dioxa-8,14,20,24,25,27-hexazahexacyclo[23.3.1.03,7.08,28.010,15.022,26]nonacosa-1(29),10(15),11,13,22(26),23,27-heptaen-21-one;hydride;methanol;oxido formate;oxolane?
The canonical SMILES for dipotassium;(2S)-3-aminopropane-1,2-diol;tert-butyl N-[(2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropyl]carbamate;tert-butyl N-[(2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethoxy)propyl]carbamate;tert-butyl-chloro-dimethylsilane;tert-butyl N-[(2S)-2,3-dihydroxypropyl]carbamate;tert-butyl N-[(2S)-3-hydroxy-2-(methoxymethoxy)propyl]carbamate;tert-butyl (5S)-5-(methoxymethoxy)-2,2-dioxooxathiazinane-3-carboxylate;chloro(methoxy)methane;deuterio(fluoro)methane;ethyl 3-amino-2-[(3S,7R)-8-[(5-fluoro-2-oxo-1H-pyridin-3-yl)methyl]-2-oxa-8,10,12-triazatricyclo[7.4.0.03,7]trideca-1(13),9,11-trien-11-yl]prop-2-enoate;ethyl (11S,15R)-16-[[5-fluoro-2-[(2S)-2-(methoxymethoxy)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]-3-pyridinyl]methyl]-10-oxa-2,6,7,16-tetrazatetracyclo[7.7.0.03,7.011,15]hexadeca-1,3,5,8-tetraene-4-carboxylate;(3S,7R,18S)-12-fluoro-18-hydroxy-2,16-dioxa-8,14,20,24,25,27-hexazahexacyclo[23.3.1.03,7.08,28.010,15.022,26]nonacosa-1(29),10(15),11,13,22(26),23,27-heptaen-21-one;hydride;methanol;oxido formate;oxolane is C1CCOC1.C1CCOC1.CC(C)(C)OC(=O)NC[C@H](O)CO.CC(C)(C)OC(=O)NC[C@H](O)CO[Si](C)(C)C(C)(C)C.CC(C)(C)[Si](C)(C)Cl.CCOC(=O)C(=CN)c1ncc2c(n1)N(Cc1cc(F)c[nH]c1=O)[C@@H]1CCC[C@@H]1O2.CCOC(=O)c1cnn2cc3c(nc12)N(Cc1cc(F)cnc1OC[C@H](CNC(=O)OC(C)(C)C)OCOC)[C@@H]1CCC[C@@H]1O3.CO.COCCl.COCO[C@@H](CNC(=O)OC(C)(C)C)CO[Si](C)(C)C(C)(C)C.COCO[C@@H]1COS(=O)(=O)N(C(=O)OC(C)(C)C)C1.COCO[C@H](CO)CNC(=O)OC(C)(C)C.NC[C@H](O)CO.O=C1NC[C@H](O)COc2ncc(F)cc2CN2c3nc4c1cnn4cc3O[C@H]1CCC[C@H]12.O=CO[O-].[2H]CF.[H-].[K+].[K+].
What is the InChIKey of dipotassium;(2S)-3-aminopropane-1,2-diol;tert-butyl N-[(2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropyl]carbamate;tert-butyl N-[(2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethoxy)propyl]carbamate;tert-butyl-chloro-dimethylsilane;tert-butyl N-[(2S)-2,3-dihydroxypropyl]carbamate;tert-butyl N-[(2S)-3-hydroxy-2-(methoxymethoxy)propyl]carbamate;tert-butyl (5S)-5-(methoxymethoxy)-2,2-dioxooxathiazinane-3-carboxylate;chloro(methoxy)methane;deuterio(fluoro)methane;ethyl 3-amino-2-[(3S,7R)-8-[(5-fluoro-2-oxo-1H-pyridin-3-yl)methyl]-2-oxa-8,10,12-triazatricyclo[7.4.0.03,7]trideca-1(13),9,11-trien-11-yl]prop-2-enoate;ethyl (11S,15R)-16-[[5-fluoro-2-[(2S)-2-(methoxymethoxy)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]-3-pyridinyl]methyl]-10-oxa-2,6,7,16-tetrazatetracyclo[7.7.0.03,7.011,15]hexadeca-1,3,5,8-tetraene-4-carboxylate;(3S,7R,18S)-12-fluoro-18-hydroxy-2,16-dioxa-8,14,20,24,25,27-hexazahexacyclo[23.3.1.03,7.08,28.010,15.022,26]nonacosa-1(29),10(15),11,13,22(26),23,27-heptaen-21-one;hydride;methanol;oxido formate;oxolane?
The InChIKey is ALFZQTJPADSEFE-FIZQCAGESA-M. The full InChI is InChI=1S/C30H39FN6O8.C21H21FN6O4.C20H22FN5O4.C16H35NO5Si.C14H31NO4Si.C10H19NO7S.C10H21NO5.C8H17NO4.C6H15ClSi.2C4H8O.C3H9NO2.C2H5ClO.CH3F.CH2O3.CH4O.2K.H/c1-6-41-28(38)21-13-34-37-15-24-26(35-25(21)37)36(22-8-7-9-23(22)44-24)14-18-10-19(31)11-32-27(18)42-16-20(43-17-40-5)12-33-29(39)45-30(2,3)4;22-12-4-11-8-27-15-2-1-3-16(15)32-17-9-28-18(26-19(17)27)14(7-25-28)20(30)23-6-13(29)10-31-21(11)24-5-12;1-2-29-20(28)13(7-22)17-23-9-16-18(25-17)26(14-4-3-5-15(14)30-16)10-11-6-12(21)8-24-19(11)27;1-15(2,3)22-14(18)17-10-13(20-12-19-7)11-21-23(8,9)16(4,5)6;1-13(2,3)19-12(17)15-9-11(16)10-18-20(7,8)14(4,5)6;1-10(2,3)18-9(12)11-5-8(16-7-15-4)6-17-19(11,13)14;1-10(2,3)16-9(13)11-5-8(6-12)15-7-14-4;1-8(2,3)13-7(12)9-4-6(11)5-10;1-6(2,3)8(4,5)7;2*1-2-4-5-3-1;4-1-3(6)2-5;1-4-2-3;1-2;2-1-4-3;1-2;;;/h10-11,13,15,20,22-23H,6-9,12,14,16-17H2,1-5H3,(H,33,39);4-5,7,9,13,15-16,29H,1-3,6,8,10H2,(H,23,30);6-9,14-15H,2-5,10,22H2,1H3,(H,24,27);13H,10-12H2,1-9H3,(H,17,18);11,16H,9-10H2,1-8H3,(H,15,17);8H,5-7H2,1-4H3;8,12H,5-7H2,1-4H3,(H,11,13);6,10-11H,4-5H2,1-3H3,(H,9,12);1-5H3;2*1-4H2;3,5-6H,1-2,4H2;2H2,1H3;1H3;1,3H;2H,1H3;;;/q;;;;;;;;;;;;;;;;2*+1;-1/p-1/t20-,22+,23-;13-,15+,16-;14-,15+;13-;11-;2*8-;6-;;;;3-;;;;;;;/m00100000...0......./s1/i;;;;;;;;;;;;;1D;;;;;.
What are the key properties of dipotassium;(2S)-3-aminopropane-1,2-diol;tert-butyl N-[(2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropyl]carbamate;tert-butyl N-[(2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethoxy)propyl]carbamate;tert-butyl-chloro-dimethylsilane;tert-butyl N-[(2S)-2,3-dihydroxypropyl]carbamate;tert-butyl N-[(2S)-3-hydroxy-2-(methoxymethoxy)propyl]carbamate;tert-butyl (5S)-5-(methoxymethoxy)-2,2-dioxooxathiazinane-3-carboxylate;chloro(methoxy)methane;deuterio(fluoro)methane;ethyl 3-amino-2-[(3S,7R)-8-[(5-fluoro-2-oxo-1H-pyridin-3-yl)methyl]-2-oxa-8,10,12-triazatricyclo[7.4.0.03,7]trideca-1(13),9,11-trien-11-yl]prop-2-enoate;ethyl (11S,15R)-16-[[5-fluoro-2-[(2S)-2-(methoxymethoxy)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]-3-pyridinyl]methyl]-10-oxa-2,6,7,16-tetrazatetracyclo[7.7.0.03,7.011,15]hexadeca-1,3,5,8-tetraene-4-carboxylate;(3S,7R,18S)-12-fluoro-18-hydroxy-2,16-dioxa-8,14,20,24,25,27-hexazahexacyclo[23.3.1.03,7.08,28.010,15.022,26]nonacosa-1(29),10(15),11,13,22(26),23,27-heptaen-21-one;hydride;methanol;oxido formate;oxolane?
dipotassium;(2S)-3-aminopropane-1,2-diol;tert-butyl N-[(2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropyl]carbamate;tert-butyl N-[(2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethoxy)propyl]carbamate;tert-butyl-chloro-dimethylsilane;tert-butyl N-[(2S)-2,3-dihydroxypropyl]carbamate;tert-butyl N-[(2S)-3-hydroxy-2-(methoxymethoxy)propyl]carbamate;tert-butyl (5S)-5-(methoxymethoxy)-2,2-dioxooxathiazinane-3-carboxylate;chloro(methoxy)methane;deuterio(fluoro)methane;ethyl 3-amino-2-[(3S,7R)-8-[(5-fluoro-2-oxo-1H-pyridin-3-yl)methyl]-2-oxa-8,10,12-triazatricyclo[7.4.0.03,7]trideca-1(13),9,11-trien-11-yl]prop-2-enoate;ethyl (11S,15R)-16-[[5-fluoro-2-[(2S)-2-(methoxymethoxy)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]-3-pyridinyl]methyl]-10-oxa-2,6,7,16-tetrazatetracyclo[7.7.0.03,7.011,15]hexadeca-1,3,5,8-tetraene-4-carboxylate;(3S,7R,18S)-12-fluoro-18-hydroxy-2,16-dioxa-8,14,20,24,25,27-hexazahexacyclo[23.3.1.03,7.08,28.010,15.022,26]nonacosa-1(29),10(15),11,13,22(26),23,27-heptaen-21-one;hydride;methanol;oxido formate;oxolane has a molecular weight of 3539.27 g/mol, XLogP of 10.17, 46 rotatable bonds, 17 hydrogen bond donors, and 65 hydrogen bond acceptors.
Where does this data come from?
All data for dipotassium;(2S)-3-aminopropane-1,2-diol;tert-butyl N-[(2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropyl]carbamate;tert-butyl N-[(2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethoxy)propyl]carbamate;tert-butyl-chloro-dimethylsilane;tert-butyl N-[(2S)-2,3-dihydroxypropyl]carbamate;tert-butyl N-[(2S)-3-hydroxy-2-(methoxymethoxy)propyl]carbamate;tert-butyl (5S)-5-(methoxymethoxy)-2,2-dioxooxathiazinane-3-carboxylate;chloro(methoxy)methane;deuterio(fluoro)methane;ethyl 3-amino-2-[(3S,7R)-8-[(5-fluoro-2-oxo-1H-pyridin-3-yl)methyl]-2-oxa-8,10,12-triazatricyclo[7.4.0.03,7]trideca-1(13),9,11-trien-11-yl]prop-2-enoate;ethyl (11S,15R)-16-[[5-fluoro-2-[(2S)-2-(methoxymethoxy)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]-3-pyridinyl]methyl]-10-oxa-2,6,7,16-tetrazatetracyclo[7.7.0.03,7.011,15]hexadeca-1,3,5,8-tetraene-4-carboxylate;(3S,7R,18S)-12-fluoro-18-hydroxy-2,16-dioxa-8,14,20,24,25,27-hexazahexacyclo[23.3.1.03,7.08,28.010,15.022,26]nonacosa-1(29),10(15),11,13,22(26),23,27-heptaen-21-one;hydride;methanol;oxido formate;oxolane is sourced from PubChem (CID 157152916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).