tert-butyl N-[2-bis(prop-2-enoxy)phosphoryloxyethyl]-N-[(2E,5S,9R,10R,11Z,13R,14S)-10-hydroxy-18-(methoxymethoxy)-7,7,13,14-tetramethyl-16-oxo-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(17),2,11,18,20-pentaen-20-yl]carbamate;tert-butyl N-[2-bis(prop-2-enoxy)phosphoryloxyethyl]-N-[(2E,5S,9S,10R,11Z,13R,14S)-18-(methoxymethoxy)-10-[(4-methoxyphenyl)methoxy]-7,7,13,14-tetramethyl-16-oxo-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(17),2,11,18,20-pentaen-20-yl]carbamate;tert-butyl N-(2-hydroxyethyl)-N-[(2E,5S,9S,10R,11Z,13R,14S)-18-(methoxymethoxy)-10-[(4-methoxyphenyl)methoxy]-7,7,13,14-tetramethyl-16-oxo-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(17),2,11,18,20-pentaen-20-yl]carbamate;bis(tert-butyl N-[(2E,5S,9R,10R,11Z,13R,14S)-10-hydroxy-18-(methoxymethoxy)-7,7,13,14-tetramethyl-16-oxo-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(17),2,11,18,20-pentaen-20-yl]-N-(2-phosphonooxyethyl)carbamate);tert-butyl N-(2-phosphonooxyethyl)-N-[(4S,5R,6Z,9S,10S,12E)-9,10,18-trihydroxy-4,5-dimethyl-2,8-dioxo-3-oxabicyclo[12.4.0]octadeca-1(14),6,12,15,17-pentaen-16-yl]carbamate;2,2,2-trifluoroacetaldehyde;trifluoromethanesulfonic acid;2-[[(4S,5R,6Z,9S,10S,12E)-9,10,18-trihydroxy-4,5-dimethyl-2,8-dioxo-3-oxabicyclo[12.4.0]octadeca-1(14),6,12,15,17-pentaen-16-yl]amino]ethyl dihydrogen phosphate

C233H327F6N7O90P6S — CID 161059699

IUPACtert-butyl N-[2-bis(prop-2-enoxy)phosphoryloxyethyl]-N-[(2E,5S,9R,10R,11Z,13R,14S)-10-hydroxy-18-(methoxymethoxy)-7,7,13,14-tetramethyl-16-oxo-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(17),2,11,18,20-pentaen-20-yl]carbamate;tert-butyl N-[2-bis(prop-2-enoxy)phosphoryloxyethyl]-N-[(2E,5S,9S,10R,11Z,13R,14S)-18-(methoxymethoxy)-10-[(4-methoxyphenyl)methoxy]-7,7,13,14-tetramethyl-16-oxo-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(17),2,11,18,20-pentaen-20-yl]carbamate;tert-butyl N-(2-hydroxyethyl)-N-[(2E,5S,9S,10R,11Z,13R,14S)-18-(methoxymethoxy)-10-[(4-methoxyphenyl)methoxy]-7,7,13,14-tetramethyl-16-oxo-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(17),2,11,18,20-pentaen-20-yl]carbamate;bis(tert-butyl N-[(2E,5S,9R,10R,11Z,13R,14S)-10-hydroxy-18-(methoxymethoxy)-7,7,13,14-tetramethyl-16-oxo-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(17),2,11,18,20-pentaen-20-yl]-N-(2-phosphonooxyethyl)carbamate);tert-butyl N-(2-phosphonooxyethyl)-N-[(4S,5R,6Z,9S,10S,12E)-9,10,18-trihydroxy-4,5-dimethyl-2,8-dioxo-3-oxabicyclo[12.4.0]octadeca-1(14),6,12,15,17-pentaen-16-yl]carbamate;2,2,2-trifluoroacetaldehyde;trifluoromethanesulfonic acid;2-[[(4S,5R,6Z,9S,10S,12E)-9,10,18-trihydroxy-4,5-dimethyl-2,8-dioxo-3-oxabicyclo[12.4.0]octadeca-1(14),6,12,15,17-pentaen-16-yl]amino]ethyl dihydrogen phosphate
SMILESC=CCOP(=O)(OCC=C)OCCN(C(=O)OC(C)(C)C)c1cc2c(c(OCOC)c1)C(=O)O[C@@H](C)[C@H](C)/C=C\[C@@H](O)[C@H]1OC(C)(C)O[C@H]1C/C=C/2.C=CCOP(=O)(OCC=C)OCCN(C(=O)OC(C)(C)C)c1cc2c(c(OCOC)c1)C(=O)O[C@@H](C)[C@H](C)/C=C\[C@@H](OCc1ccc(OC)cc1)[C@H]1OC(C)(C)O[C@H]1C/C=C/2.COCOc1cc(N(CCO)C(=O)OC(C)(C)C)cc2c1C(=O)O[C@@H](C)[C@H](C)/C=C\[C@@H](OCc1ccc(OC)cc1)[C@H]1OC(C)(C)O[C@H]1C/C=C/2.COCOc1cc(N(CCOP(=O)(O)O)C(=O)OC(C)(C)C)cc2c1C(=O)O[C@@H](C)[C@H](C)/C=C\[C@@H](O)[C@H]1OC(C)(C)O[C@H]1C/C=C/2.COCOc1cc(N(CCOP(=O)(O)O)C(=O)OC(C)(C)C)cc2c1C(=O)O[C@@H](C)[C@H](C)/C=C\[C@@H](O)[C@H]1OC(C)(C)O[C@H]1C/C=C/2.C[C@@H]1/C=C\C(=O)[C@@H](O)[C@@H](O)C/C=C/c2cc(N(CCOP(=O)(O)O)C(=O)OC(C)(C)C)cc(O)c2C(=O)O[C@H]1C.C[C@@H]1/C=C\C(=O)[C@@H](O)[C@@H](O)C/C=C/c2cc(NCCOP(=O)(O)O)cc(O)c2C(=O)O[C@H]1C.O=CC(F)(F)F.O=S(=O)(O)C(F)(F)F
InChIInChI=1S/C45H62NO14P.C39H53NO11.C37H54NO13P.2C31H46NO13P.C26H36NO12P.C21H28NO10P.C2HF3O.CHF3O3S/c1-12-24-54-61(49,55-25-13-2)56-26-23-46(43(48)60-44(5,6)7)35-27-34-15-14-16-38-41(59-45(8,9)58-38)37(52-29-33-18-20-36(51-11)21-19-33)22-17-31(3)32(4)57-42(47)40(34)39(28-35)53-30-50-10;1-25-13-18-31(46-23-27-14-16-30(45-9)17-15-27)35-32(49-39(6,7)50-35)12-10-11-28-21-29(40(19-20-41)37(43)51-38(3,4)5)22-33(47-24-44-8)34(28)36(42)48-26(25)2;1-11-19-45-52(42,46-20-12-2)47-21-18-38(35(41)51-36(5,6)7)28-22-27-14-13-15-30-33(50-37(8,9)49-30)29(39)17-16-25(3)26(4)48-34(40)32(27)31(23-28)44-24-43-10;2*1-19-12-13-23(33)27-24(43-31(6,7)44-27)11-9-10-21-16-22(17-25(40-18-39-8)26(21)28(34)42-20(19)2)32(14-15-41-46(36,37)38)29(35)45-30(3,4)5;1-15-9-10-20(29)23(31)19(28)8-6-7-17-13-18(14-21(30)22(17)24(32)38-16(15)2)27(11-12-37-40(34,35)36)25(33)39-26(3,4)5;1-12-6-7-17(24)20(26)16(23)5-3-4-14-10-15(22-8-9-31-33(28,29)30)11-18(25)19(14)21(27)32-13(12)2;3-2(4,5)1-6;2-1(3,4)8(5,6)7/h12-15,17-22,27-28,31-32,37-38,41H,1-2,16,23-26,29-30H2,3-11H3;10-11,13-18,21-22,25-26,31-32,35,41H,12,19-20,23-24H2,1-9H3;11-14,16-17,22-23,25-26,29-30,33,39H,1-2,15,18-21,24H2,3-10H3;2*9-10,12-13,16-17,19-20,23-24,27,33H,11,14-15,18H2,1-8H3,(H2,36,37,38);6-7,9-10,13-16,19,23,28,30-31H,8,11-12H2,1-5H3,(H2,34,35,36);3-4,6-7,10-13,16,20,22-23,25-26H,5,8-9H2,1-2H3,(H2,28,29,30);1H;(H,5,6,7)/b15-14+,22-17-;11-10+,18-13-;14-13+,17-16-;2*10-9+,13-12-;7-6+,10-9-;4-3+,7-6-;;/t31-,32+,37-,38+,41-;25-,26+,31-,32+,35-;25-,26+,29-,30+,33-;2*19-,20+,23-,24+,27-;15-,16+,19+,23+;12-,13+,16+,20+;;/m1111111../s1
InChIKeyUDFTYMHEGQBXBX-WOQMZCFISA-N
MW4998.04 g/mol
LogP37.16
Rot. Bonds68

About tert-butyl N-[2-bis(prop-2-enoxy)phosphoryloxyethyl]-N-[(2E,5S,9R,10R,11Z,13R,14S)-10-hydroxy-18-(methoxymethoxy)-7,7,13,14-tetramethyl-16-oxo-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(17),2,11,18,20-pentaen-20-yl]carbamate;tert-butyl N-[2-bis(prop-2-enoxy)phosphoryloxyethyl]-N-[(2E,5S,9S,10R,11Z,13R,14S)-18-(methoxymethoxy)-10-[(4-methoxyphenyl)methoxy]-7,7,13,14-tetramethyl-16-oxo-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(17),2,11,18,20-pentaen-20-yl]carbamate;tert-butyl N-(2-hydroxyethyl)-N-[(2E,5S,9S,10R,11Z,13R,14S)-18-(methoxymethoxy)-10-[(4-methoxyphenyl)methoxy]-7,7,13,14-tetramethyl-16-oxo-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(17),2,11,18,20-pentaen-20-yl]carbamate;bis(tert-butyl N-[(2E,5S,9R,10R,11Z,13R,14S)-10-hydroxy-18-(methoxymethoxy)-7,7,13,14-tetramethyl-16-oxo-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(17),2,11,18,20-pentaen-20-yl]-N-(2-phosphonooxyethyl)carbamate);tert-butyl N-(2-phosphonooxyethyl)-N-[(4S,5R,6Z,9S,10S,12E)-9,10,18-trihydroxy-4,5-dimethyl-2,8-dioxo-3-oxabicyclo[12.4.0]octadeca-1(14),6,12,15,17-pentaen-16-yl]carbamate;2,2,2-trifluoroacetaldehyde;trifluoromethanesulfonic acid;2-[[(4S,5R,6Z,9S,10S,12E)-9,10,18-trihydroxy-4,5-dimethyl-2,8-dioxo-3-oxabicyclo[12.4.0]octadeca-1(14),6,12,15,17-pentaen-16-yl]amino]ethyl dihydrogen phosphate

tert-butyl N-[2-bis(prop-2-enoxy)phosphoryloxyethyl]-N-[(2E,5S,9R,10R,11Z,13R,14S)-10-hydroxy-18-(methoxymethoxy)-7,7,13,14-tetramethyl-16-oxo-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(17),2,11,18,20-pentaen-20-yl]carbamate;tert-butyl N-[2-bis(prop-2-enoxy)phosphoryloxyethyl]-N-[(2E,5S,9S,10R,11Z,13R,14S)-18-(methoxymethoxy)-10-[(4-methoxyphenyl)methoxy]-7,7,13,14-tetramethyl-16-oxo-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(17),2,11,18,20-pentaen-20-yl]carbamate;tert-butyl N-(2-hydroxyethyl)-N-[(2E,5S,9S,10R,11Z,13R,14S)-18-(methoxymethoxy)-10-[(4-methoxyphenyl)methoxy]-7,7,13,14-tetramethyl-16-oxo-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(17),2,11,18,20-pentaen-20-yl]carbamate;bis(tert-butyl N-[(2E,5S,9R,10R,11Z,13R,14S)-10-hydroxy-18-(methoxymethoxy)-7,7,13,14-tetramethyl-16-oxo-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(17),2,11,18,20-pentaen-20-yl]-N-(2-phosphonooxyethyl)carbamate);tert-butyl N-(2-phosphonooxyethyl)-N-[(4S,5R,6Z,9S,10S,12E)-9,10,18-trihydroxy-4,5-dimethyl-2,8-dioxo-3-oxabicyclo[12.4.0]octadeca-1(14),6,12,15,17-pentaen-16-yl]carbamate;2,2,2-trifluoroacetaldehyde;trifluoromethanesulfonic acid;2-[[(4S,5R,6Z,9S,10S,12E)-9,10,18-trihydroxy-4,5-dimethyl-2,8-dioxo-3-oxabicyclo[12.4.0]octadeca-1(14),6,12,15,17-pentaen-16-yl]amino]ethyl dihydrogen phosphate (PubChem CID 161059699) has the molecular formula C233H327F6N7O90P6S and a molecular weight of 4998.04 g/mol. Its IUPAC name is tert-butyl N-[2-bis(prop-2-enoxy)phosphoryloxyethyl]-N-[(2E,5S,9R,10R,11Z,13R,14S)-10-hydroxy-18-(methoxymethoxy)-7,7,13,14-tetramethyl-16-oxo-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(17),2,11,18,20-pentaen-20-yl]carbamate;tert-butyl N-[2-bis(prop-2-enoxy)phosphoryloxyethyl]-N-[(2E,5S,9S,10R,11Z,13R,14S)-18-(methoxymethoxy)-10-[(4-methoxyphenyl)methoxy]-7,7,13,14-tetramethyl-16-oxo-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(17),2,11,18,20-pentaen-20-yl]carbamate;tert-butyl N-(2-hydroxyethyl)-N-[(2E,5S,9S,10R,11Z,13R,14S)-18-(methoxymethoxy)-10-[(4-methoxyphenyl)methoxy]-7,7,13,14-tetramethyl-16-oxo-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(17),2,11,18,20-pentaen-20-yl]carbamate;bis(tert-butyl N-[(2E,5S,9R,10R,11Z,13R,14S)-10-hydroxy-18-(methoxymethoxy)-7,7,13,14-tetramethyl-16-oxo-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(17),2,11,18,20-pentaen-20-yl]-N-(2-phosphonooxyethyl)carbamate);tert-butyl N-(2-phosphonooxyethyl)-N-[(4S,5R,6Z,9S,10S,12E)-9,10,18-trihydroxy-4,5-dimethyl-2,8-dioxo-3-oxabicyclo[12.4.0]octadeca-1(14),6,12,15,17-pentaen-16-yl]carbamate;2,2,2-trifluoroacetaldehyde;trifluoromethanesulfonic acid;2-[[(4S,5R,6Z,9S,10S,12E)-9,10,18-trihydroxy-4,5-dimethyl-2,8-dioxo-3-oxabicyclo[12.4.0]octadeca-1(14),6,12,15,17-pentaen-16-yl]amino]ethyl dihydrogen phosphate.

Molecular Properties

Compound Nametert-butyl N-[2-bis(prop-2-enoxy)phosphoryloxyethyl]-N-[(2E,5S,9R,10R,11Z,13R,14S)-10-hydroxy-18-(methoxymethoxy)-7,7,13,14-tetramethyl-16-oxo-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(17),2,11,18,20-pentaen-20-yl]carbamate;tert-butyl N-[2-bis(prop-2-enoxy)phosphoryloxyethyl]-N-[(2E,5S,9S,10R,11Z,13R,14S)-18-(methoxymethoxy)-10-[(4-methoxyphenyl)methoxy]-7,7,13,14-tetramethyl-16-oxo-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(17),2,11,18,20-pentaen-20-yl]carbamate;tert-butyl N-(2-hydroxyethyl)-N-[(2E,5S,9S,10R,11Z,13R,14S)-18-(methoxymethoxy)-10-[(4-methoxyphenyl)methoxy]-7,7,13,14-tetramethyl-16-oxo-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(17),2,11,18,20-pentaen-20-yl]carbamate;bis(tert-butyl N-[(2E,5S,9R,10R,11Z,13R,14S)-10-hydroxy-18-(methoxymethoxy)-7,7,13,14-tetramethyl-16-oxo-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(17),2,11,18,20-pentaen-20-yl]-N-(2-phosphonooxyethyl)carbamate);tert-butyl N-(2-phosphonooxyethyl)-N-[(4S,5R,6Z,9S,10S,12E)-9,10,18-trihydroxy-4,5-dimethyl-2,8-dioxo-3-oxabicyclo[12.4.0]octadeca-1(14),6,12,15,17-pentaen-16-yl]carbamate;2,2,2-trifluoroacetaldehyde;trifluoromethanesulfonic acid;2-[[(4S,5R,6Z,9S,10S,12E)-9,10,18-trihydroxy-4,5-dimethyl-2,8-dioxo-3-oxabicyclo[12.4.0]octadeca-1(14),6,12,15,17-pentaen-16-yl]amino]ethyl dihydrogen phosphate
PubChem CID161059699
Molecular FormulaC233H327F6N7O90P6S
Molecular Weight4998.04 g/mol
Exact Mass4994.93
IUPAC Nametert-butyl N-[2-bis(prop-2-enoxy)phosphoryloxyethyl]-N-[(2E,5S,9R,10R,11Z,13R,14S)-10-hydroxy-18-(methoxymethoxy)-7,7,13,14-tetramethyl-16-oxo-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(17),2,11,18,20-pentaen-20-yl]carbamate;tert-butyl N-[2-bis(prop-2-enoxy)phosphoryloxyethyl]-N-[(2E,5S,9S,10R,11Z,13R,14S)-18-(methoxymethoxy)-10-[(4-methoxyphenyl)methoxy]-7,7,13,14-tetramethyl-16-oxo-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(17),2,11,18,20-pentaen-20-yl]carbamate;tert-butyl N-(2-hydroxyethyl)-N-[(2E,5S,9S,10R,11Z,13R,14S)-18-(methoxymethoxy)-10-[(4-methoxyphenyl)methoxy]-7,7,13,14-tetramethyl-16-oxo-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(17),2,11,18,20-pentaen-20-yl]carbamate;bis(tert-butyl N-[(2E,5S,9R,10R,11Z,13R,14S)-10-hydroxy-18-(methoxymethoxy)-7,7,13,14-tetramethyl-16-oxo-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(17),2,11,18,20-pentaen-20-yl]-N-(2-phosphonooxyethyl)carbamate);tert-butyl N-(2-phosphonooxyethyl)-N-[(4S,5R,6Z,9S,10S,12E)-9,10,18-trihydroxy-4,5-dimethyl-2,8-dioxo-3-oxabicyclo[12.4.0]octadeca-1(14),6,12,15,17-pentaen-16-yl]carbamate;2,2,2-trifluoroacetaldehyde;trifluoromethanesulfonic acid;2-[[(4S,5R,6Z,9S,10S,12E)-9,10,18-trihydroxy-4,5-dimethyl-2,8-dioxo-3-oxabicyclo[12.4.0]octadeca-1(14),6,12,15,17-pentaen-16-yl]amino]ethyl dihydrogen phosphate
SMILESC=CCOP(=O)(OCC=C)OCCN(C(=O)OC(C)(C)C)c1cc2c(c(OCOC)c1)C(=O)O[C@@H](C)[C@H](C)/C=C\[C@@H](O)[C@H]1OC(C)(C)O[C@H]1C/C=C/2.C=CCOP(=O)(OCC=C)OCCN(C(=O)OC(C)(C)C)c1cc2c(c(OCOC)c1)C(=O)O[C@@H](C)[C@H](C)/C=C\[C@@H](OCc1ccc(OC)cc1)[C@H]1OC(C)(C)O[C@H]1C/C=C/2.COCOc1cc(N(CCO)C(=O)OC(C)(C)C)cc2c1C(=O)O[C@@H](C)[C@H](C)/C=C\[C@@H](OCc1ccc(OC)cc1)[C@H]1OC(C)(C)O[C@H]1C/C=C/2.COCOc1cc(N(CCOP(=O)(O)O)C(=O)OC(C)(C)C)cc2c1C(=O)O[C@@H](C)[C@H](C)/C=C\[C@@H](O)[C@H]1OC(C)(C)O[C@H]1C/C=C/2.COCOc1cc(N(CCOP(=O)(O)O)C(=O)OC(C)(C)C)cc2c1C(=O)O[C@@H](C)[C@H](C)/C=C\[C@@H](O)[C@H]1OC(C)(C)O[C@H]1C/C=C/2.C[C@@H]1/C=C\C(=O)[C@@H](O)[C@@H](O)C/C=C/c2cc(N(CCOP(=O)(O)O)C(=O)OC(C)(C)C)cc(O)c2C(=O)O[C@H]1C.C[C@@H]1/C=C\C(=O)[C@@H](O)[C@@H](O)C/C=C/c2cc(NCCOP(=O)(O)O)cc(O)c2C(=O)O[C@H]1C.O=CC(F)(F)F.O=S(=O)(O)C(F)(F)F
InChIInChI=1S/C45H62NO14P.C39H53NO11.C37H54NO13P.2C31H46NO13P.C26H36NO12P.C21H28NO10P.C2HF3O.CHF3O3S/c1-12-24-54-61(49,55-25-13-2)56-26-23-46(43(48)60-44(5,6)7)35-27-34-15-14-16-38-41(59-45(8,9)58-38)37(52-29-33-18-20-36(51-11)21-19-33)22-17-31(3)32(4)57-42(47)40(34)39(28-35)53-30-50-10;1-25-13-18-31(46-23-27-14-16-30(45-9)17-15-27)35-32(49-39(6,7)50-35)12-10-11-28-21-29(40(19-20-41)37(43)51-38(3,4)5)22-33(47-24-44-8)34(28)36(42)48-26(25)2;1-11-19-45-52(42,46-20-12-2)47-21-18-38(35(41)51-36(5,6)7)28-22-27-14-13-15-30-33(50-37(8,9)49-30)29(39)17-16-25(3)26(4)48-34(40)32(27)31(23-28)44-24-43-10;2*1-19-12-13-23(33)27-24(43-31(6,7)44-27)11-9-10-21-16-22(17-25(40-18-39-8)26(21)28(34)42-20(19)2)32(14-15-41-46(36,37)38)29(35)45-30(3,4)5;1-15-9-10-20(29)23(31)19(28)8-6-7-17-13-18(14-21(30)22(17)24(32)38-16(15)2)27(11-12-37-40(34,35)36)25(33)39-26(3,4)5;1-12-6-7-17(24)20(26)16(23)5-3-4-14-10-15(22-8-9-31-33(28,29)30)11-18(25)19(14)21(27)32-13(12)2;3-2(4,5)1-6;2-1(3,4)8(5,6)7/h12-15,17-22,27-28,31-32,37-38,41H,1-2,16,23-26,29-30H2,3-11H3;10-11,13-18,21-22,25-26,31-32,35,41H,12,19-20,23-24H2,1-9H3;11-14,16-17,22-23,25-26,29-30,33,39H,1-2,15,18-21,24H2,3-10H3;2*9-10,12-13,16-17,19-20,23-24,27,33H,11,14-15,18H2,1-8H3,(H2,36,37,38);6-7,9-10,13-16,19,23,28,30-31H,8,11-12H2,1-5H3,(H2,34,35,36);3-4,6-7,10-13,16,20,22-23,25-26H,5,8-9H2,1-2H3,(H2,28,29,30);1H;(H,5,6,7)/b15-14+,22-17-;11-10+,18-13-;14-13+,17-16-;2*10-9+,13-12-;7-6+,10-9-;4-3+,7-6-;;/t31-,32+,37-,38+,41-;25-,26+,31-,32+,35-;25-,26+,29-,30+,33-;2*19-,20+,23-,24+,27-;15-,16+,19+,23+;12-,13+,16+,20+;;/m1111111../s1
InChIKeyUDFTYMHEGQBXBX-WOQMZCFISA-N
XLogP37.16
TPSA1259.33 Ų
H-Bond Donors20
H-Bond Acceptors82
Rotatable Bonds68
Heavy Atoms343
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004998.04
LogP ≤ 537.16
H-Bond Donors ≤ 520
H-Bond Acceptors ≤ 1082

Analyze tert-butyl N-[2-bis(prop-2-enoxy)phosphoryloxyethyl]-N-[(2E,5S,9R,10R,11Z,13R,14S)-10-hydroxy-18-(methoxymethoxy)-7,7,13,14-tetramethyl-16-oxo-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(17),2,11,18,20-pentaen-20-yl]carbamate;tert-butyl N-[2-bis(prop-2-enoxy)phosphoryloxyethyl]-N-[(2E,5S,9S,10R,11Z,13R,14S)-18-(methoxymethoxy)-10-[(4-methoxyphenyl)methoxy]-7,7,13,14-tetramethyl-16-oxo-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(17),2,11,18,20-pentaen-20-yl]carbamate;tert-butyl N-(2-hydroxyethyl)-N-[(2E,5S,9S,10R,11Z,13R,14S)-18-(methoxymethoxy)-10-[(4-methoxyphenyl)methoxy]-7,7,13,14-tetramethyl-16-oxo-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(17),2,11,18,20-pentaen-20-yl]carbamate;bis(tert-butyl N-[(2E,5S,9R,10R,11Z,13R,14S)-10-hydroxy-18-(methoxymethoxy)-7,7,13,14-tetramethyl-16-oxo-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(17),2,11,18,20-pentaen-20-yl]-N-(2-phosphonooxyethyl)carbamate);tert-butyl N-(2-phosphonooxyethyl)-N-[(4S,5R,6Z,9S,10S,12E)-9,10,18-trihydroxy-4,5-dimethyl-2,8-dioxo-3-oxabicyclo[12.4.0]octadeca-1(14),6,12,15,17-pentaen-16-yl]carbamate;2,2,2-trifluoroacetaldehyde;trifluoromethanesulfonic acid;2-[[(4S,5R,6Z,9S,10S,12E)-9,10,18-trihydroxy-4,5-dimethyl-2,8-dioxo-3-oxabicyclo[12.4.0]octadeca-1(14),6,12,15,17-pentaen-16-yl]amino]ethyl dihydrogen phosphate with MolForge

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-bis(prop-2-enoxy)phosphoryloxyethyl]-N-[(2E,5S,9R,10R,11Z,13R,14S)-10-hydroxy-18-(methoxymethoxy)-7,7,13,14-tetramethyl-16-oxo-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(17),2,11,18,20-pentaen-20-yl]carbamate;tert-butyl N-[2-bis(prop-2-enoxy)phosphoryloxyethyl]-N-[(2E,5S,9S,10R,11Z,13R,14S)-18-(methoxymethoxy)-10-[(4-methoxyphenyl)methoxy]-7,7,13,14-tetramethyl-16-oxo-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(17),2,11,18,20-pentaen-20-yl]carbamate;tert-butyl N-(2-hydroxyethyl)-N-[(2E,5S,9S,10R,11Z,13R,14S)-18-(methoxymethoxy)-10-[(4-methoxyphenyl)methoxy]-7,7,13,14-tetramethyl-16-oxo-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(17),2,11,18,20-pentaen-20-yl]carbamate;bis(tert-butyl N-[(2E,5S,9R,10R,11Z,13R,14S)-10-hydroxy-18-(methoxymethoxy)-7,7,13,14-tetramethyl-16-oxo-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(17),2,11,18,20-pentaen-20-yl]-N-(2-phosphonooxyethyl)carbamate);tert-butyl N-(2-phosphonooxyethyl)-N-[(4S,5R,6Z,9S,10S,12E)-9,10,18-trihydroxy-4,5-dimethyl-2,8-dioxo-3-oxabicyclo[12.4.0]octadeca-1(14),6,12,15,17-pentaen-16-yl]carbamate;2,2,2-trifluoroacetaldehyde;trifluoromethanesulfonic acid;2-[[(4S,5R,6Z,9S,10S,12E)-9,10,18-trihydroxy-4,5-dimethyl-2,8-dioxo-3-oxabicyclo[12.4.0]octadeca-1(14),6,12,15,17-pentaen-16-yl]amino]ethyl dihydrogen phosphate?
The IUPAC name of tert-butyl N-[2-bis(prop-2-enoxy)phosphoryloxyethyl]-N-[(2E,5S,9R,10R,11Z,13R,14S)-10-hydroxy-18-(methoxymethoxy)-7,7,13,14-tetramethyl-16-oxo-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(17),2,11,18,20-pentaen-20-yl]carbamate;tert-butyl N-[2-bis(prop-2-enoxy)phosphoryloxyethyl]-N-[(2E,5S,9S,10R,11Z,13R,14S)-18-(methoxymethoxy)-10-[(4-methoxyphenyl)methoxy]-7,7,13,14-tetramethyl-16-oxo-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(17),2,11,18,20-pentaen-20-yl]carbamate;tert-butyl N-(2-hydroxyethyl)-N-[(2E,5S,9S,10R,11Z,13R,14S)-18-(methoxymethoxy)-10-[(4-methoxyphenyl)methoxy]-7,7,13,14-tetramethyl-16-oxo-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(17),2,11,18,20-pentaen-20-yl]carbamate;bis(tert-butyl N-[(2E,5S,9R,10R,11Z,13R,14S)-10-hydroxy-18-(methoxymethoxy)-7,7,13,14-tetramethyl-16-oxo-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(17),2,11,18,20-pentaen-20-yl]-N-(2-phosphonooxyethyl)carbamate);tert-butyl N-(2-phosphonooxyethyl)-N-[(4S,5R,6Z,9S,10S,12E)-9,10,18-trihydroxy-4,5-dimethyl-2,8-dioxo-3-oxabicyclo[12.4.0]octadeca-1(14),6,12,15,17-pentaen-16-yl]carbamate;2,2,2-trifluoroacetaldehyde;trifluoromethanesulfonic acid;2-[[(4S,5R,6Z,9S,10S,12E)-9,10,18-trihydroxy-4,5-dimethyl-2,8-dioxo-3-oxabicyclo[12.4.0]octadeca-1(14),6,12,15,17-pentaen-16-yl]amino]ethyl dihydrogen phosphate (CID 161059699) is tert-butyl N-[2-bis(prop-2-enoxy)phosphoryloxyethyl]-N-[(2E,5S,9R,10R,11Z,13R,14S)-10-hydroxy-18-(methoxymethoxy)-7,7,13,14-tetramethyl-16-oxo-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(17),2,11,18,20-pentaen-20-yl]carbamate;tert-butyl N-[2-bis(prop-2-enoxy)phosphoryloxyethyl]-N-[(2E,5S,9S,10R,11Z,13R,14S)-18-(methoxymethoxy)-10-[(4-methoxyphenyl)methoxy]-7,7,13,14-tetramethyl-16-oxo-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(17),2,11,18,20-pentaen-20-yl]carbamate;tert-butyl N-(2-hydroxyethyl)-N-[(2E,5S,9S,10R,11Z,13R,14S)-18-(methoxymethoxy)-10-[(4-methoxyphenyl)methoxy]-7,7,13,14-tetramethyl-16-oxo-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(17),2,11,18,20-pentaen-20-yl]carbamate;bis(tert-butyl N-[(2E,5S,9R,10R,11Z,13R,14S)-10-hydroxy-18-(methoxymethoxy)-7,7,13,14-tetramethyl-16-oxo-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(17),2,11,18,20-pentaen-20-yl]-N-(2-phosphonooxyethyl)carbamate);tert-butyl N-(2-phosphonooxyethyl)-N-[(4S,5R,6Z,9S,10S,12E)-9,10,18-trihydroxy-4,5-dimethyl-2,8-dioxo-3-oxabicyclo[12.4.0]octadeca-1(14),6,12,15,17-pentaen-16-yl]carbamate;2,2,2-trifluoroacetaldehyde;trifluoromethanesulfonic acid;2-[[(4S,5R,6Z,9S,10S,12E)-9,10,18-trihydroxy-4,5-dimethyl-2,8-dioxo-3-oxabicyclo[12.4.0]octadeca-1(14),6,12,15,17-pentaen-16-yl]amino]ethyl dihydrogen phosphate.
What is the SMILES notation for tert-butyl N-[2-bis(prop-2-enoxy)phosphoryloxyethyl]-N-[(2E,5S,9R,10R,11Z,13R,14S)-10-hydroxy-18-(methoxymethoxy)-7,7,13,14-tetramethyl-16-oxo-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(17),2,11,18,20-pentaen-20-yl]carbamate;tert-butyl N-[2-bis(prop-2-enoxy)phosphoryloxyethyl]-N-[(2E,5S,9S,10R,11Z,13R,14S)-18-(methoxymethoxy)-10-[(4-methoxyphenyl)methoxy]-7,7,13,14-tetramethyl-16-oxo-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(17),2,11,18,20-pentaen-20-yl]carbamate;tert-butyl N-(2-hydroxyethyl)-N-[(2E,5S,9S,10R,11Z,13R,14S)-18-(methoxymethoxy)-10-[(4-methoxyphenyl)methoxy]-7,7,13,14-tetramethyl-16-oxo-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(17),2,11,18,20-pentaen-20-yl]carbamate;bis(tert-butyl N-[(2E,5S,9R,10R,11Z,13R,14S)-10-hydroxy-18-(methoxymethoxy)-7,7,13,14-tetramethyl-16-oxo-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(17),2,11,18,20-pentaen-20-yl]-N-(2-phosphonooxyethyl)carbamate);tert-butyl N-(2-phosphonooxyethyl)-N-[(4S,5R,6Z,9S,10S,12E)-9,10,18-trihydroxy-4,5-dimethyl-2,8-dioxo-3-oxabicyclo[12.4.0]octadeca-1(14),6,12,15,17-pentaen-16-yl]carbamate;2,2,2-trifluoroacetaldehyde;trifluoromethanesulfonic acid;2-[[(4S,5R,6Z,9S,10S,12E)-9,10,18-trihydroxy-4,5-dimethyl-2,8-dioxo-3-oxabicyclo[12.4.0]octadeca-1(14),6,12,15,17-pentaen-16-yl]amino]ethyl dihydrogen phosphate?
The canonical SMILES for tert-butyl N-[2-bis(prop-2-enoxy)phosphoryloxyethyl]-N-[(2E,5S,9R,10R,11Z,13R,14S)-10-hydroxy-18-(methoxymethoxy)-7,7,13,14-tetramethyl-16-oxo-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(17),2,11,18,20-pentaen-20-yl]carbamate;tert-butyl N-[2-bis(prop-2-enoxy)phosphoryloxyethyl]-N-[(2E,5S,9S,10R,11Z,13R,14S)-18-(methoxymethoxy)-10-[(4-methoxyphenyl)methoxy]-7,7,13,14-tetramethyl-16-oxo-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(17),2,11,18,20-pentaen-20-yl]carbamate;tert-butyl N-(2-hydroxyethyl)-N-[(2E,5S,9S,10R,11Z,13R,14S)-18-(methoxymethoxy)-10-[(4-methoxyphenyl)methoxy]-7,7,13,14-tetramethyl-16-oxo-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(17),2,11,18,20-pentaen-20-yl]carbamate;bis(tert-butyl N-[(2E,5S,9R,10R,11Z,13R,14S)-10-hydroxy-18-(methoxymethoxy)-7,7,13,14-tetramethyl-16-oxo-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(17),2,11,18,20-pentaen-20-yl]-N-(2-phosphonooxyethyl)carbamate);tert-butyl N-(2-phosphonooxyethyl)-N-[(4S,5R,6Z,9S,10S,12E)-9,10,18-trihydroxy-4,5-dimethyl-2,8-dioxo-3-oxabicyclo[12.4.0]octadeca-1(14),6,12,15,17-pentaen-16-yl]carbamate;2,2,2-trifluoroacetaldehyde;trifluoromethanesulfonic acid;2-[[(4S,5R,6Z,9S,10S,12E)-9,10,18-trihydroxy-4,5-dimethyl-2,8-dioxo-3-oxabicyclo[12.4.0]octadeca-1(14),6,12,15,17-pentaen-16-yl]amino]ethyl dihydrogen phosphate is C=CCOP(=O)(OCC=C)OCCN(C(=O)OC(C)(C)C)c1cc2c(c(OCOC)c1)C(=O)O[C@@H](C)[C@H](C)/C=C\[C@@H](O)[C@H]1OC(C)(C)O[C@H]1C/C=C/2.C=CCOP(=O)(OCC=C)OCCN(C(=O)OC(C)(C)C)c1cc2c(c(OCOC)c1)C(=O)O[C@@H](C)[C@H](C)/C=C\[C@@H](OCc1ccc(OC)cc1)[C@H]1OC(C)(C)O[C@H]1C/C=C/2.COCOc1cc(N(CCO)C(=O)OC(C)(C)C)cc2c1C(=O)O[C@@H](C)[C@H](C)/C=C\[C@@H](OCc1ccc(OC)cc1)[C@H]1OC(C)(C)O[C@H]1C/C=C/2.COCOc1cc(N(CCOP(=O)(O)O)C(=O)OC(C)(C)C)cc2c1C(=O)O[C@@H](C)[C@H](C)/C=C\[C@@H](O)[C@H]1OC(C)(C)O[C@H]1C/C=C/2.COCOc1cc(N(CCOP(=O)(O)O)C(=O)OC(C)(C)C)cc2c1C(=O)O[C@@H](C)[C@H](C)/C=C\[C@@H](O)[C@H]1OC(C)(C)O[C@H]1C/C=C/2.C[C@@H]1/C=C\C(=O)[C@@H](O)[C@@H](O)C/C=C/c2cc(N(CCOP(=O)(O)O)C(=O)OC(C)(C)C)cc(O)c2C(=O)O[C@H]1C.C[C@@H]1/C=C\C(=O)[C@@H](O)[C@@H](O)C/C=C/c2cc(NCCOP(=O)(O)O)cc(O)c2C(=O)O[C@H]1C.O=CC(F)(F)F.O=S(=O)(O)C(F)(F)F.
What is the InChIKey of tert-butyl N-[2-bis(prop-2-enoxy)phosphoryloxyethyl]-N-[(2E,5S,9R,10R,11Z,13R,14S)-10-hydroxy-18-(methoxymethoxy)-7,7,13,14-tetramethyl-16-oxo-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(17),2,11,18,20-pentaen-20-yl]carbamate;tert-butyl N-[2-bis(prop-2-enoxy)phosphoryloxyethyl]-N-[(2E,5S,9S,10R,11Z,13R,14S)-18-(methoxymethoxy)-10-[(4-methoxyphenyl)methoxy]-7,7,13,14-tetramethyl-16-oxo-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(17),2,11,18,20-pentaen-20-yl]carbamate;tert-butyl N-(2-hydroxyethyl)-N-[(2E,5S,9S,10R,11Z,13R,14S)-18-(methoxymethoxy)-10-[(4-methoxyphenyl)methoxy]-7,7,13,14-tetramethyl-16-oxo-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(17),2,11,18,20-pentaen-20-yl]carbamate;bis(tert-butyl N-[(2E,5S,9R,10R,11Z,13R,14S)-10-hydroxy-18-(methoxymethoxy)-7,7,13,14-tetramethyl-16-oxo-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(17),2,11,18,20-pentaen-20-yl]-N-(2-phosphonooxyethyl)carbamate);tert-butyl N-(2-phosphonooxyethyl)-N-[(4S,5R,6Z,9S,10S,12E)-9,10,18-trihydroxy-4,5-dimethyl-2,8-dioxo-3-oxabicyclo[12.4.0]octadeca-1(14),6,12,15,17-pentaen-16-yl]carbamate;2,2,2-trifluoroacetaldehyde;trifluoromethanesulfonic acid;2-[[(4S,5R,6Z,9S,10S,12E)-9,10,18-trihydroxy-4,5-dimethyl-2,8-dioxo-3-oxabicyclo[12.4.0]octadeca-1(14),6,12,15,17-pentaen-16-yl]amino]ethyl dihydrogen phosphate?
The InChIKey is UDFTYMHEGQBXBX-WOQMZCFISA-N. The full InChI is InChI=1S/C45H62NO14P.C39H53NO11.C37H54NO13P.2C31H46NO13P.C26H36NO12P.C21H28NO10P.C2HF3O.CHF3O3S/c1-12-24-54-61(49,55-25-13-2)56-26-23-46(43(48)60-44(5,6)7)35-27-34-15-14-16-38-41(59-45(8,9)58-38)37(52-29-33-18-20-36(51-11)21-19-33)22-17-31(3)32(4)57-42(47)40(34)39(28-35)53-30-50-10;1-25-13-18-31(46-23-27-14-16-30(45-9)17-15-27)35-32(49-39(6,7)50-35)12-10-11-28-21-29(40(19-20-41)37(43)51-38(3,4)5)22-33(47-24-44-8)34(28)36(42)48-26(25)2;1-11-19-45-52(42,46-20-12-2)47-21-18-38(35(41)51-36(5,6)7)28-22-27-14-13-15-30-33(50-37(8,9)49-30)29(39)17-16-25(3)26(4)48-34(40)32(27)31(23-28)44-24-43-10;2*1-19-12-13-23(33)27-24(43-31(6,7)44-27)11-9-10-21-16-22(17-25(40-18-39-8)26(21)28(34)42-20(19)2)32(14-15-41-46(36,37)38)29(35)45-30(3,4)5;1-15-9-10-20(29)23(31)19(28)8-6-7-17-13-18(14-21(30)22(17)24(32)38-16(15)2)27(11-12-37-40(34,35)36)25(33)39-26(3,4)5;1-12-6-7-17(24)20(26)16(23)5-3-4-14-10-15(22-8-9-31-33(28,29)30)11-18(25)19(14)21(27)32-13(12)2;3-2(4,5)1-6;2-1(3,4)8(5,6)7/h12-15,17-22,27-28,31-32,37-38,41H,1-2,16,23-26,29-30H2,3-11H3;10-11,13-18,21-22,25-26,31-32,35,41H,12,19-20,23-24H2,1-9H3;11-14,16-17,22-23,25-26,29-30,33,39H,1-2,15,18-21,24H2,3-10H3;2*9-10,12-13,16-17,19-20,23-24,27,33H,11,14-15,18H2,1-8H3,(H2,36,37,38);6-7,9-10,13-16,19,23,28,30-31H,8,11-12H2,1-5H3,(H2,34,35,36);3-4,6-7,10-13,16,20,22-23,25-26H,5,8-9H2,1-2H3,(H2,28,29,30);1H;(H,5,6,7)/b15-14+,22-17-;11-10+,18-13-;14-13+,17-16-;2*10-9+,13-12-;7-6+,10-9-;4-3+,7-6-;;/t31-,32+,37-,38+,41-;25-,26+,31-,32+,35-;25-,26+,29-,30+,33-;2*19-,20+,23-,24+,27-;15-,16+,19+,23+;12-,13+,16+,20+;;/m1111111../s1.
What are the key properties of tert-butyl N-[2-bis(prop-2-enoxy)phosphoryloxyethyl]-N-[(2E,5S,9R,10R,11Z,13R,14S)-10-hydroxy-18-(methoxymethoxy)-7,7,13,14-tetramethyl-16-oxo-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(17),2,11,18,20-pentaen-20-yl]carbamate;tert-butyl N-[2-bis(prop-2-enoxy)phosphoryloxyethyl]-N-[(2E,5S,9S,10R,11Z,13R,14S)-18-(methoxymethoxy)-10-[(4-methoxyphenyl)methoxy]-7,7,13,14-tetramethyl-16-oxo-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(17),2,11,18,20-pentaen-20-yl]carbamate;tert-butyl N-(2-hydroxyethyl)-N-[(2E,5S,9S,10R,11Z,13R,14S)-18-(methoxymethoxy)-10-[(4-methoxyphenyl)methoxy]-7,7,13,14-tetramethyl-16-oxo-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(17),2,11,18,20-pentaen-20-yl]carbamate;bis(tert-butyl N-[(2E,5S,9R,10R,11Z,13R,14S)-10-hydroxy-18-(methoxymethoxy)-7,7,13,14-tetramethyl-16-oxo-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(17),2,11,18,20-pentaen-20-yl]-N-(2-phosphonooxyethyl)carbamate);tert-butyl N-(2-phosphonooxyethyl)-N-[(4S,5R,6Z,9S,10S,12E)-9,10,18-trihydroxy-4,5-dimethyl-2,8-dioxo-3-oxabicyclo[12.4.0]octadeca-1(14),6,12,15,17-pentaen-16-yl]carbamate;2,2,2-trifluoroacetaldehyde;trifluoromethanesulfonic acid;2-[[(4S,5R,6Z,9S,10S,12E)-9,10,18-trihydroxy-4,5-dimethyl-2,8-dioxo-3-oxabicyclo[12.4.0]octadeca-1(14),6,12,15,17-pentaen-16-yl]amino]ethyl dihydrogen phosphate?
tert-butyl N-[2-bis(prop-2-enoxy)phosphoryloxyethyl]-N-[(2E,5S,9R,10R,11Z,13R,14S)-10-hydroxy-18-(methoxymethoxy)-7,7,13,14-tetramethyl-16-oxo-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(17),2,11,18,20-pentaen-20-yl]carbamate;tert-butyl N-[2-bis(prop-2-enoxy)phosphoryloxyethyl]-N-[(2E,5S,9S,10R,11Z,13R,14S)-18-(methoxymethoxy)-10-[(4-methoxyphenyl)methoxy]-7,7,13,14-tetramethyl-16-oxo-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(17),2,11,18,20-pentaen-20-yl]carbamate;tert-butyl N-(2-hydroxyethyl)-N-[(2E,5S,9S,10R,11Z,13R,14S)-18-(methoxymethoxy)-10-[(4-methoxyphenyl)methoxy]-7,7,13,14-tetramethyl-16-oxo-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(17),2,11,18,20-pentaen-20-yl]carbamate;bis(tert-butyl N-[(2E,5S,9R,10R,11Z,13R,14S)-10-hydroxy-18-(methoxymethoxy)-7,7,13,14-tetramethyl-16-oxo-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(17),2,11,18,20-pentaen-20-yl]-N-(2-phosphonooxyethyl)carbamate);tert-butyl N-(2-phosphonooxyethyl)-N-[(4S,5R,6Z,9S,10S,12E)-9,10,18-trihydroxy-4,5-dimethyl-2,8-dioxo-3-oxabicyclo[12.4.0]octadeca-1(14),6,12,15,17-pentaen-16-yl]carbamate;2,2,2-trifluoroacetaldehyde;trifluoromethanesulfonic acid;2-[[(4S,5R,6Z,9S,10S,12E)-9,10,18-trihydroxy-4,5-dimethyl-2,8-dioxo-3-oxabicyclo[12.4.0]octadeca-1(14),6,12,15,17-pentaen-16-yl]amino]ethyl dihydrogen phosphate has a molecular weight of 4998.04 g/mol, XLogP of 37.16, 68 rotatable bonds, 20 hydrogen bond donors, and 82 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-bis(prop-2-enoxy)phosphoryloxyethyl]-N-[(2E,5S,9R,10R,11Z,13R,14S)-10-hydroxy-18-(methoxymethoxy)-7,7,13,14-tetramethyl-16-oxo-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(17),2,11,18,20-pentaen-20-yl]carbamate;tert-butyl N-[2-bis(prop-2-enoxy)phosphoryloxyethyl]-N-[(2E,5S,9S,10R,11Z,13R,14S)-18-(methoxymethoxy)-10-[(4-methoxyphenyl)methoxy]-7,7,13,14-tetramethyl-16-oxo-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(17),2,11,18,20-pentaen-20-yl]carbamate;tert-butyl N-(2-hydroxyethyl)-N-[(2E,5S,9S,10R,11Z,13R,14S)-18-(methoxymethoxy)-10-[(4-methoxyphenyl)methoxy]-7,7,13,14-tetramethyl-16-oxo-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(17),2,11,18,20-pentaen-20-yl]carbamate;bis(tert-butyl N-[(2E,5S,9R,10R,11Z,13R,14S)-10-hydroxy-18-(methoxymethoxy)-7,7,13,14-tetramethyl-16-oxo-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(17),2,11,18,20-pentaen-20-yl]-N-(2-phosphonooxyethyl)carbamate);tert-butyl N-(2-phosphonooxyethyl)-N-[(4S,5R,6Z,9S,10S,12E)-9,10,18-trihydroxy-4,5-dimethyl-2,8-dioxo-3-oxabicyclo[12.4.0]octadeca-1(14),6,12,15,17-pentaen-16-yl]carbamate;2,2,2-trifluoroacetaldehyde;trifluoromethanesulfonic acid;2-[[(4S,5R,6Z,9S,10S,12E)-9,10,18-trihydroxy-4,5-dimethyl-2,8-dioxo-3-oxabicyclo[12.4.0]octadeca-1(14),6,12,15,17-pentaen-16-yl]amino]ethyl dihydrogen phosphate is sourced from PubChem (CID 161059699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).