(4R,5S)-4-[(1R)-1-aminoethyl]-3-(4-azidobutyl)-5-[(1R)-1-hydroxypropyl]-5-methyl-1,3-oxazolidin-2-one;(1S,2R,8R,9R,11R,14R,15R)-16-(4-azidobutyl)-8-[(2S)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-9-methoxy-1,5,9,11,14-pentamethyl-3,18-dioxa-13,16-diazabicyclo[13.3.0]octadecane-4,6,12,17-tetrone;(1S,2R,5R,8R,9R,11R,14R,15R)-16-(4-azidobutyl)-8-[(2S)-4-(dimethylamino)-6-methyl-3-phosphorosooxan-2-yl]oxy-2-ethyl-9-methoxy-1,5,9,11,14-pentamethyl-3,18-dioxa-13,16-diazabicyclo[13.3.0]octadecane-4,6,12,17-tetrone;(4R,5S)-3-(4-azidobutyl)-4-[(2S,5R,7R,8R,9R)-8-[(2S)-4-(dimethylamino)-6-methyl-3-phosphorosooxan-2-yl]oxy-7-methoxy-5,7-dimethyl-4-oxo-9-(2,2,5-trimethyl-6-oxo-1,3-dioxin-4-yl)decan-2-yl]-5-[(1R)-1-hydroxypropyl]-5-methyl-1,3-oxazolidin-2-one;(2R,4R,5R,6R)-5-[(2S)-4-(dimethylamino)-6-methyl-3-phosphorosooxan-2-yl]oxy-4-methoxy-2,4-dimethyl-6-(2,2,5-trimethyl-6-oxo-1,3-dioxin-4-yl)heptanoic acid;methane;methanol

C148H260N23O44P3 — CID 158421324

About (4R,5S)-4-[(1R)-1-aminoethyl]-3-(4-azidobutyl)-5-[(1R)-1-hydroxypropyl]-5-methyl-1,3-oxazolidin-2-one;(1S,2R,8R,9R,11R,14R,15R)-16-(4-azidobutyl)-8-[(2S)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-9-methoxy-1,5,9,11,14-pentamethyl-3,18-dioxa-13,16-diazabicyclo[13.3.0]octadecane-4,6,12,17-tetrone;(1S,2R,5R,8R,9R,11R,14R,15R)-16-(4-azidobutyl)-8-[(2S)-4-(dimethylamino)-6-methyl-3-phosphorosooxan-2-yl]oxy-2-ethyl-9-methoxy-1,5,9,11,14-pentamethyl-3,18-dioxa-13,16-diazabicyclo[13.3.0]octadecane-4,6,12,17-tetrone;(4R,5S)-3-(4-azidobutyl)-4-[(2S,5R,7R,8R,9R)-8-[(2S)-4-(dimethylamino)-6-methyl-3-phosphorosooxan-2-yl]oxy-7-methoxy-5,7-dimethyl-4-oxo-9-(2,2,5-trimethyl-6-oxo-1,3-dioxin-4-yl)decan-2-yl]-5-[(1R)-1-hydroxypropyl]-5-methyl-1,3-oxazolidin-2-one;(2R,4R,5R,6R)-5-[(2S)-4-(dimethylamino)-6-methyl-3-phosphorosooxan-2-yl]oxy-4-methoxy-2,4-dimethyl-6-(2,2,5-trimethyl-6-oxo-1,3-dioxin-4-yl)heptanoic acid;methane;methanol

(4R,5S)-4-[(1R)-1-aminoethyl]-3-(4-azidobutyl)-5-[(1R)-1-hydroxypropyl]-5-methyl-1,3-oxazolidin-2-one;(1S,2R,8R,9R,11R,14R,15R)-16-(4-azidobutyl)-8-[(2S)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-9-methoxy-1,5,9,11,14-pentamethyl-3,18-dioxa-13,16-diazabicyclo[13.3.0]octadecane-4,6,12,17-tetrone;(1S,2R,5R,8R,9R,11R,14R,15R)-16-(4-azidobutyl)-8-[(2S)-4-(dimethylamino)-6-methyl-3-phosphorosooxan-2-yl]oxy-2-ethyl-9-methoxy-1,5,9,11,14-pentamethyl-3,18-dioxa-13,16-diazabicyclo[13.3.0]octadecane-4,6,12,17-tetrone;(4R,5S)-3-(4-azidobutyl)-4-[(2S,5R,7R,8R,9R)-8-[(2S)-4-(dimethylamino)-6-methyl-3-phosphorosooxan-2-yl]oxy-7-methoxy-5,7-dimethyl-4-oxo-9-(2,2,5-trimethyl-6-oxo-1,3-dioxin-4-yl)decan-2-yl]-5-[(1R)-1-hydroxypropyl]-5-methyl-1,3-oxazolidin-2-one;(2R,4R,5R,6R)-5-[(2S)-4-(dimethylamino)-6-methyl-3-phosphorosooxan-2-yl]oxy-4-methoxy-2,4-dimethyl-6-(2,2,5-trimethyl-6-oxo-1,3-dioxin-4-yl)heptanoic acid;methane;methanol (PubChem CID 158421324) has the molecular formula C148H260N23O44P3 and a molecular weight of 3158.75 g/mol. Its IUPAC name is (4R,5S)-4-[(1R)-1-aminoethyl]-3-(4-azidobutyl)-5-[(1R)-1-hydroxypropyl]-5-methyl-1,3-oxazolidin-2-one;(1S,2R,8R,9R,11R,14R,15R)-16-(4-azidobutyl)-8-[(2S)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-9-methoxy-1,5,9,11,14-pentamethyl-3,18-dioxa-13,16-diazabicyclo[13.3.0]octadecane-4,6,12,17-tetrone;(1S,2R,5R,8R,9R,11R,14R,15R)-16-(4-azidobutyl)-8-[(2S)-4-(dimethylamino)-6-methyl-3-phosphorosooxan-2-yl]oxy-2-ethyl-9-methoxy-1,5,9,11,14-pentamethyl-3,18-dioxa-13,16-diazabicyclo[13.3.0]octadecane-4,6,12,17-tetrone;(4R,5S)-3-(4-azidobutyl)-4-[(2S,5R,7R,8R,9R)-8-[(2S)-4-(dimethylamino)-6-methyl-3-phosphorosooxan-2-yl]oxy-7-methoxy-5,7-dimethyl-4-oxo-9-(2,2,5-trimethyl-6-oxo-1,3-dioxin-4-yl)decan-2-yl]-5-[(1R)-1-hydroxypropyl]-5-methyl-1,3-oxazolidin-2-one;(2R,4R,5R,6R)-5-[(2S)-4-(dimethylamino)-6-methyl-3-phosphorosooxan-2-yl]oxy-4-methoxy-2,4-dimethyl-6-(2,2,5-trimethyl-6-oxo-1,3-dioxin-4-yl)heptanoic acid;methane;methanol.

Molecular Properties

• Compound Name: (4R,5S)-4-[(1R)-1-aminoethyl]-3-(4-azidobutyl)-5-[(1R)-1-hydroxypropyl]-5-methyl-1,3-oxazolidin-2-one;(1S,2R,8R,9R,11R,14R,15R)-16-(4-azidobutyl)-8-[(2S)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-9-methoxy-1,5,9,11,14-pentamethyl-3,18-dioxa-13,16-diazabicyclo[13.3.0]octadecane-4,6,12,17-tetrone;(1S,2R,5R,8R,9R,11R,14R,15R)-16-(4-azidobutyl)-8-[(2S)-4-(dimethylamino)-6-methyl-3-phosphorosooxan-2-yl]oxy-2-ethyl-9-methoxy-1,5,9,11,14-pentamethyl-3,18-dioxa-13,16-diazabicyclo[13.3.0]octadecane-4,6,12,17-tetrone;(4R,5S)-3-(4-azidobutyl)-4-[(2S,5R,7R,8R,9R)-8-[(2S)-4-(dimethylamino)-6-methyl-3-phosphorosooxan-2-yl]oxy-7-methoxy-5,7-dimethyl-4-oxo-9-(2,2,5-trimethyl-6-oxo-1,3-dioxin-4-yl)decan-2-yl]-5-[(1R)-1-hydroxypropyl]-5-methyl-1,3-oxazolidin-2-one;(2R,4R,5R,6R)-5-[(2S)-4-(dimethylamino)-6-methyl-3-phosphorosooxan-2-yl]oxy-4-methoxy-2,4-dimethyl-6-(2,2,5-trimethyl-6-oxo-1,3-dioxin-4-yl)heptanoic acid;methane;methanol
• PubChem CID: 158421324
• Molecular Formula: C148H260N23O44P3
• Molecular Weight: 3158.75 g/mol
• Exact Mass: 3156.80
• IUPAC Name: (4R,5S)-4-[(1R)-1-aminoethyl]-3-(4-azidobutyl)-5-[(1R)-1-hydroxypropyl]-5-methyl-1,3-oxazolidin-2-one;(1S,2R,8R,9R,11R,14R,15R)-16-(4-azidobutyl)-8-[(2S)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-9-methoxy-1,5,9,11,14-pentamethyl-3,18-dioxa-13,16-diazabicyclo[13.3.0]octadecane-4,6,12,17-tetrone;(1S,2R,5R,8R,9R,11R,14R,15R)-16-(4-azidobutyl)-8-[(2S)-4-(dimethylamino)-6-methyl-3-phosphorosooxan-2-yl]oxy-2-ethyl-9-methoxy-1,5,9,11,14-pentamethyl-3,18-dioxa-13,16-diazabicyclo[13.3.0]octadecane-4,6,12,17-tetrone;(4R,5S)-3-(4-azidobutyl)-4-[(2S,5R,7R,8R,9R)-8-[(2S)-4-(dimethylamino)-6-methyl-3-phosphorosooxan-2-yl]oxy-7-methoxy-5,7-dimethyl-4-oxo-9-(2,2,5-trimethyl-6-oxo-1,3-dioxin-4-yl)decan-2-yl]-5-[(1R)-1-hydroxypropyl]-5-methyl-1,3-oxazolidin-2-one;(2R,4R,5R,6R)-5-[(2S)-4-(dimethylamino)-6-methyl-3-phosphorosooxan-2-yl]oxy-4-methoxy-2,4-dimethyl-6-(2,2,5-trimethyl-6-oxo-1,3-dioxin-4-yl)heptanoic acid;methane;methanol
• SMILES: C.C.CC[C@@H](O)[C@@]1(C)OC(=O)N(CCCCN=[N+]=[N-])[C@@H]1[C@@H](C)CC(=O)[C@H](C)C[C@@](C)(OC)[C@H](O[C@@H]1OC(C)CC(N(C)C)C1P=O)[C@@H](C)C1=C(C)C(=O)OC(C)(C)O1.CC[C@@H](O)[C@@]1(C)OC(=O)N(CCCCN=[N+]=[N-])[C@@H]1[C@@H](C)N.CC[C@H]1OC(=O)C(C)C(=O)C[C@@H](O[C@@H]2OC(C)CC(N(C)C)C2O)[C@](C)(OC)C[C@@H](C)C(=O)N[C@H](C)[C@H]2N(CCCCN=[N+]=[N-])C(=O)O[C@]12C.CC[C@H]1OC(=O)[C@H](C)C(=O)C[C@@H](O[C@@H]2OC(C)CC(N(C)C)C2P=O)[C@](C)(OC)C[C@@H](C)C(=O)N[C@H](C)[C@H]2N(CCCCN=[N+]=[N-])C(=O)O[C@]12C.CO.CO[C@](C)(C[C@@H](C)C(=O)O)[C@H](O[C@@H]1OC(C)CC(N(C)C)C1P=O)[C@@H](C)C1=C(C)C(=O)OC(C)(C)O1
• InChI: InChI=1S/C39H66N5O11P.C34H57N6O10P.C34H58N6O10.C25H42NO9P.C13H25N5O3.CH4O.2CH4/c1-14-29(46)39(10)32(44(36(48)55-39)18-16-15-17-41-42-40)22(2)19-28(45)23(3)21-38(9,50-13)33(25(5)30-26(6)34(47)54-37(7,8)53-30)52-35-31(56-49)27(43(11)12)20-24(4)51-35;1-11-25-34(7)28(40(32(44)50-34)15-13-12-14-36-38-35)22(5)37-29(42)19(2)18-33(6,46-10)26(17-24(41)21(4)30(43)48-25)49-31-27(51-45)23(39(8)9)16-20(3)47-31;1-11-25-34(7)28(40(32(45)50-34)15-13-12-14-36-38-35)22(5)37-29(43)19(2)18-33(6,46-10)26(17-24(41)21(4)30(44)48-25)49-31-27(42)23(39(8)9)16-20(3)47-31;1-13(21(27)28)12-25(7,31-10)20(15(3)18-16(4)22(29)35-24(5,6)34-18)33-23-19(36-30)17(26(8)9)11-14(2)32-23;1-4-10(19)13(3)11(9(2)14)18(12(20)21-13)8-6-5-7-16-17-15;1-2;;/h22-25,27,29,31-33,35,46H,14-21H2,1-13H3;19-23,25-28,31H,11-18H2,1-10H3,(H,37,42);19-23,25-28,31,42H,11-18H2,1-10H3,(H,37,43);13-15,17,19-20,23H,11-12H2,1-10H3,(H,27,28);9-11,19H,4-8,14H2,1-3H3;2H,1H3;2*1H4/t22-,23+,24?,25-,27?,29+,31?,32+,33+,35-,38+,39+;19-,20?,21-,22-,23?,25-,26-,27?,28-,31+,33-,34-;19-,20?,21?,22-,23?,25-,26-,27?,28-,31+,33-,34-;13-,14?,15+,17?,19?,20-,23+,25-;9-,10-,11-,13-;;;/m01111.../s1
• InChIKey: HANHQBISVYEGNV-SVRMVGEMSA-N
• XLogP: 21.24
• TPSA: 865.44 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 52
• Rotatable Bonds: 61
• Heavy Atoms: 218
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3158.75
LogP ≤ 5	21.24
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	52

Frequently Asked Questions

What is the IUPAC name of (4R,5S)-4-[(1R)-1-aminoethyl]-3-(4-azidobutyl)-5-[(1R)-1-hydroxypropyl]-5-methyl-1,3-oxazolidin-2-one;(1S,2R,8R,9R,11R,14R,15R)-16-(4-azidobutyl)-8-[(2S)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-9-methoxy-1,5,9,11,14-pentamethyl-3,18-dioxa-13,16-diazabicyclo[13.3.0]octadecane-4,6,12,17-tetrone;(1S,2R,5R,8R,9R,11R,14R,15R)-16-(4-azidobutyl)-8-[(2S)-4-(dimethylamino)-6-methyl-3-phosphorosooxan-2-yl]oxy-2-ethyl-9-methoxy-1,5,9,11,14-pentamethyl-3,18-dioxa-13,16-diazabicyclo[13.3.0]octadecane-4,6,12,17-tetrone;(4R,5S)-3-(4-azidobutyl)-4-[(2S,5R,7R,8R,9R)-8-[(2S)-4-(dimethylamino)-6-methyl-3-phosphorosooxan-2-yl]oxy-7-methoxy-5,7-dimethyl-4-oxo-9-(2,2,5-trimethyl-6-oxo-1,3-dioxin-4-yl)decan-2-yl]-5-[(1R)-1-hydroxypropyl]-5-methyl-1,3-oxazolidin-2-one;(2R,4R,5R,6R)-5-[(2S)-4-(dimethylamino)-6-methyl-3-phosphorosooxan-2-yl]oxy-4-methoxy-2,4-dimethyl-6-(2,2,5-trimethyl-6-oxo-1,3-dioxin-4-yl)heptanoic acid;methane;methanol?

The IUPAC name of (4R,5S)-4-[(1R)-1-aminoethyl]-3-(4-azidobutyl)-5-[(1R)-1-hydroxypropyl]-5-methyl-1,3-oxazolidin-2-one;(1S,2R,8R,9R,11R,14R,15R)-16-(4-azidobutyl)-8-[(2S)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-9-methoxy-1,5,9,11,14-pentamethyl-3,18-dioxa-13,16-diazabicyclo[13.3.0]octadecane-4,6,12,17-tetrone;(1S,2R,5R,8R,9R,11R,14R,15R)-16-(4-azidobutyl)-8-[(2S)-4-(dimethylamino)-6-methyl-3-phosphorosooxan-2-yl]oxy-2-ethyl-9-methoxy-1,5,9,11,14-pentamethyl-3,18-dioxa-13,16-diazabicyclo[13.3.0]octadecane-4,6,12,17-tetrone;(4R,5S)-3-(4-azidobutyl)-4-[(2S,5R,7R,8R,9R)-8-[(2S)-4-(dimethylamino)-6-methyl-3-phosphorosooxan-2-yl]oxy-7-methoxy-5,7-dimethyl-4-oxo-9-(2,2,5-trimethyl-6-oxo-1,3-dioxin-4-yl)decan-2-yl]-5-[(1R)-1-hydroxypropyl]-5-methyl-1,3-oxazolidin-2-one;(2R,4R,5R,6R)-5-[(2S)-4-(dimethylamino)-6-methyl-3-phosphorosooxan-2-yl]oxy-4-methoxy-2,4-dimethyl-6-(2,2,5-trimethyl-6-oxo-1,3-dioxin-4-yl)heptanoic acid;methane;methanol (CID 158421324) is (4R,5S)-4-[(1R)-1-aminoethyl]-3-(4-azidobutyl)-5-[(1R)-1-hydroxypropyl]-5-methyl-1,3-oxazolidin-2-one;(1S,2R,8R,9R,11R,14R,15R)-16-(4-azidobutyl)-8-[(2S)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-9-methoxy-1,5,9,11,14-pentamethyl-3,18-dioxa-13,16-diazabicyclo[13.3.0]octadecane-4,6,12,17-tetrone;(1S,2R,5R,8R,9R,11R,14R,15R)-16-(4-azidobutyl)-8-[(2S)-4-(dimethylamino)-6-methyl-3-phosphorosooxan-2-yl]oxy-2-ethyl-9-methoxy-1,5,9,11,14-pentamethyl-3,18-dioxa-13,16-diazabicyclo[13.3.0]octadecane-4,6,12,17-tetrone;(4R,5S)-3-(4-azidobutyl)-4-[(2S,5R,7R,8R,9R)-8-[(2S)-4-(dimethylamino)-6-methyl-3-phosphorosooxan-2-yl]oxy-7-methoxy-5,7-dimethyl-4-oxo-9-(2,2,5-trimethyl-6-oxo-1,3-dioxin-4-yl)decan-2-yl]-5-[(1R)-1-hydroxypropyl]-5-methyl-1,3-oxazolidin-2-one;(2R,4R,5R,6R)-5-[(2S)-4-(dimethylamino)-6-methyl-3-phosphorosooxan-2-yl]oxy-4-methoxy-2,4-dimethyl-6-(2,2,5-trimethyl-6-oxo-1,3-dioxin-4-yl)heptanoic acid;methane;methanol.

What is the SMILES notation for (4R,5S)-4-[(1R)-1-aminoethyl]-3-(4-azidobutyl)-5-[(1R)-1-hydroxypropyl]-5-methyl-1,3-oxazolidin-2-one;(1S,2R,8R,9R,11R,14R,15R)-16-(4-azidobutyl)-8-[(2S)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-9-methoxy-1,5,9,11,14-pentamethyl-3,18-dioxa-13,16-diazabicyclo[13.3.0]octadecane-4,6,12,17-tetrone;(1S,2R,5R,8R,9R,11R,14R,15R)-16-(4-azidobutyl)-8-[(2S)-4-(dimethylamino)-6-methyl-3-phosphorosooxan-2-yl]oxy-2-ethyl-9-methoxy-1,5,9,11,14-pentamethyl-3,18-dioxa-13,16-diazabicyclo[13.3.0]octadecane-4,6,12,17-tetrone;(4R,5S)-3-(4-azidobutyl)-4-[(2S,5R,7R,8R,9R)-8-[(2S)-4-(dimethylamino)-6-methyl-3-phosphorosooxan-2-yl]oxy-7-methoxy-5,7-dimethyl-4-oxo-9-(2,2,5-trimethyl-6-oxo-1,3-dioxin-4-yl)decan-2-yl]-5-[(1R)-1-hydroxypropyl]-5-methyl-1,3-oxazolidin-2-one;(2R,4R,5R,6R)-5-[(2S)-4-(dimethylamino)-6-methyl-3-phosphorosooxan-2-yl]oxy-4-methoxy-2,4-dimethyl-6-(2,2,5-trimethyl-6-oxo-1,3-dioxin-4-yl)heptanoic acid;methane;methanol?

The canonical SMILES for (4R,5S)-4-[(1R)-1-aminoethyl]-3-(4-azidobutyl)-5-[(1R)-1-hydroxypropyl]-5-methyl-1,3-oxazolidin-2-one;(1S,2R,8R,9R,11R,14R,15R)-16-(4-azidobutyl)-8-[(2S)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-9-methoxy-1,5,9,11,14-pentamethyl-3,18-dioxa-13,16-diazabicyclo[13.3.0]octadecane-4,6,12,17-tetrone;(1S,2R,5R,8R,9R,11R,14R,15R)-16-(4-azidobutyl)-8-[(2S)-4-(dimethylamino)-6-methyl-3-phosphorosooxan-2-yl]oxy-2-ethyl-9-methoxy-1,5,9,11,14-pentamethyl-3,18-dioxa-13,16-diazabicyclo[13.3.0]octadecane-4,6,12,17-tetrone;(4R,5S)-3-(4-azidobutyl)-4-[(2S,5R,7R,8R,9R)-8-[(2S)-4-(dimethylamino)-6-methyl-3-phosphorosooxan-2-yl]oxy-7-methoxy-5,7-dimethyl-4-oxo-9-(2,2,5-trimethyl-6-oxo-1,3-dioxin-4-yl)decan-2-yl]-5-[(1R)-1-hydroxypropyl]-5-methyl-1,3-oxazolidin-2-one;(2R,4R,5R,6R)-5-[(2S)-4-(dimethylamino)-6-methyl-3-phosphorosooxan-2-yl]oxy-4-methoxy-2,4-dimethyl-6-(2,2,5-trimethyl-6-oxo-1,3-dioxin-4-yl)heptanoic acid;methane;methanol is C.C.CC[C@@H](O)[C@@]1(C)OC(=O)N(CCCCN=[N+]=[N-])[C@@H]1[C@@H](C)CC(=O)[C@H](C)C[C@@](C)(OC)[C@H](O[C@@H]1OC(C)CC(N(C)C)C1P=O)[C@@H](C)C1=C(C)C(=O)OC(C)(C)O1.CC[C@@H](O)[C@@]1(C)OC(=O)N(CCCCN=[N+]=[N-])[C@@H]1[C@@H](C)N.CC[C@H]1OC(=O)C(C)C(=O)C[C@@H](O[C@@H]2OC(C)CC(N(C)C)C2O)[C@](C)(OC)C[C@@H](C)C(=O)N[C@H](C)[C@H]2N(CCCCN=[N+]=[N-])C(=O)O[C@]12C.CC[C@H]1OC(=O)[C@H](C)C(=O)C[C@@H](O[C@@H]2OC(C)CC(N(C)C)C2P=O)[C@](C)(OC)C[C@@H](C)C(=O)N[C@H](C)[C@H]2N(CCCCN=[N+]=[N-])C(=O)O[C@]12C.CO.CO[C@](C)(C[C@@H](C)C(=O)O)[C@H](O[C@@H]1OC(C)CC(N(C)C)C1P=O)[C@@H](C)C1=C(C)C(=O)OC(C)(C)O1.

What is the InChIKey of (4R,5S)-4-[(1R)-1-aminoethyl]-3-(4-azidobutyl)-5-[(1R)-1-hydroxypropyl]-5-methyl-1,3-oxazolidin-2-one;(1S,2R,8R,9R,11R,14R,15R)-16-(4-azidobutyl)-8-[(2S)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-9-methoxy-1,5,9,11,14-pentamethyl-3,18-dioxa-13,16-diazabicyclo[13.3.0]octadecane-4,6,12,17-tetrone;(1S,2R,5R,8R,9R,11R,14R,15R)-16-(4-azidobutyl)-8-[(2S)-4-(dimethylamino)-6-methyl-3-phosphorosooxan-2-yl]oxy-2-ethyl-9-methoxy-1,5,9,11,14-pentamethyl-3,18-dioxa-13,16-diazabicyclo[13.3.0]octadecane-4,6,12,17-tetrone;(4R,5S)-3-(4-azidobutyl)-4-[(2S,5R,7R,8R,9R)-8-[(2S)-4-(dimethylamino)-6-methyl-3-phosphorosooxan-2-yl]oxy-7-methoxy-5,7-dimethyl-4-oxo-9-(2,2,5-trimethyl-6-oxo-1,3-dioxin-4-yl)decan-2-yl]-5-[(1R)-1-hydroxypropyl]-5-methyl-1,3-oxazolidin-2-one;(2R,4R,5R,6R)-5-[(2S)-4-(dimethylamino)-6-methyl-3-phosphorosooxan-2-yl]oxy-4-methoxy-2,4-dimethyl-6-(2,2,5-trimethyl-6-oxo-1,3-dioxin-4-yl)heptanoic acid;methane;methanol?

The InChIKey is HANHQBISVYEGNV-SVRMVGEMSA-N. The full InChI is InChI=1S/C39H66N5O11P.C34H57N6O10P.C34H58N6O10.C25H42NO9P.C13H25N5O3.CH4O.2CH4/c1-14-29(46)39(10)32(44(36(48)55-39)18-16-15-17-41-42-40)22(2)19-28(45)23(3)21-38(9,50-13)33(25(5)30-26(6)34(47)54-37(7,8)53-30)52-35-31(56-49)27(43(11)12)20-24(4)51-35;1-11-25-34(7)28(40(32(44)50-34)15-13-12-14-36-38-35)22(5)37-29(42)19(2)18-33(6,46-10)26(17-24(41)21(4)30(43)48-25)49-31-27(51-45)23(39(8)9)16-20(3)47-31;1-11-25-34(7)28(40(32(45)50-34)15-13-12-14-36-38-35)22(5)37-29(43)19(2)18-33(6,46-10)26(17-24(41)21(4)30(44)48-25)49-31-27(42)23(39(8)9)16-20(3)47-31;1-13(21(27)28)12-25(7,31-10)20(15(3)18-16(4)22(29)35-24(5,6)34-18)33-23-19(36-30)17(26(8)9)11-14(2)32-23;1-4-10(19)13(3)11(9(2)14)18(12(20)21-13)8-6-5-7-16-17-15;1-2;;/h22-25,27,29,31-33,35,46H,14-21H2,1-13H3;19-23,25-28,31H,11-18H2,1-10H3,(H,37,42);19-23,25-28,31,42H,11-18H2,1-10H3,(H,37,43);13-15,17,19-20,23H,11-12H2,1-10H3,(H,27,28);9-11,19H,4-8,14H2,1-3H3;2H,1H3;2*1H4/t22-,23+,24?,25-,27?,29+,31?,32+,33+,35-,38+,39+;19-,20?,21-,22-,23?,25-,26-,27?,28-,31+,33-,34-;19-,20?,21?,22-,23?,25-,26-,27?,28-,31+,33-,34-;13-,14?,15+,17?,19?,20-,23+,25-;9-,10-,11-,13-;;;/m01111.../s1.

What are the key properties of (4R,5S)-4-[(1R)-1-aminoethyl]-3-(4-azidobutyl)-5-[(1R)-1-hydroxypropyl]-5-methyl-1,3-oxazolidin-2-one;(1S,2R,8R,9R,11R,14R,15R)-16-(4-azidobutyl)-8-[(2S)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-9-methoxy-1,5,9,11,14-pentamethyl-3,18-dioxa-13,16-diazabicyclo[13.3.0]octadecane-4,6,12,17-tetrone;(1S,2R,5R,8R,9R,11R,14R,15R)-16-(4-azidobutyl)-8-[(2S)-4-(dimethylamino)-6-methyl-3-phosphorosooxan-2-yl]oxy-2-ethyl-9-methoxy-1,5,9,11,14-pentamethyl-3,18-dioxa-13,16-diazabicyclo[13.3.0]octadecane-4,6,12,17-tetrone;(4R,5S)-3-(4-azidobutyl)-4-[(2S,5R,7R,8R,9R)-8-[(2S)-4-(dimethylamino)-6-methyl-3-phosphorosooxan-2-yl]oxy-7-methoxy-5,7-dimethyl-4-oxo-9-(2,2,5-trimethyl-6-oxo-1,3-dioxin-4-yl)decan-2-yl]-5-[(1R)-1-hydroxypropyl]-5-methyl-1,3-oxazolidin-2-one;(2R,4R,5R,6R)-5-[(2S)-4-(dimethylamino)-6-methyl-3-phosphorosooxan-2-yl]oxy-4-methoxy-2,4-dimethyl-6-(2,2,5-trimethyl-6-oxo-1,3-dioxin-4-yl)heptanoic acid;methane;methanol?

(4R,5S)-4-[(1R)-1-aminoethyl]-3-(4-azidobutyl)-5-[(1R)-1-hydroxypropyl]-5-methyl-1,3-oxazolidin-2-one;(1S,2R,8R,9R,11R,14R,15R)-16-(4-azidobutyl)-8-[(2S)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-9-methoxy-1,5,9,11,14-pentamethyl-3,18-dioxa-13,16-diazabicyclo[13.3.0]octadecane-4,6,12,17-tetrone;(1S,2R,5R,8R,9R,11R,14R,15R)-16-(4-azidobutyl)-8-[(2S)-4-(dimethylamino)-6-methyl-3-phosphorosooxan-2-yl]oxy-2-ethyl-9-methoxy-1,5,9,11,14-pentamethyl-3,18-dioxa-13,16-diazabicyclo[13.3.0]octadecane-4,6,12,17-tetrone;(4R,5S)-3-(4-azidobutyl)-4-[(2S,5R,7R,8R,9R)-8-[(2S)-4-(dimethylamino)-6-methyl-3-phosphorosooxan-2-yl]oxy-7-methoxy-5,7-dimethyl-4-oxo-9-(2,2,5-trimethyl-6-oxo-1,3-dioxin-4-yl)decan-2-yl]-5-[(1R)-1-hydroxypropyl]-5-methyl-1,3-oxazolidin-2-one;(2R,4R,5R,6R)-5-[(2S)-4-(dimethylamino)-6-methyl-3-phosphorosooxan-2-yl]oxy-4-methoxy-2,4-dimethyl-6-(2,2,5-trimethyl-6-oxo-1,3-dioxin-4-yl)heptanoic acid;methane;methanol has a molecular weight of 3158.75 g/mol, XLogP of 21.24, 61 rotatable bonds, 8 hydrogen bond donors, and 52 hydrogen bond acceptors.

Where does this data come from?

All data for (4R,5S)-4-[(1R)-1-aminoethyl]-3-(4-azidobutyl)-5-[(1R)-1-hydroxypropyl]-5-methyl-1,3-oxazolidin-2-one;(1S,2R,8R,9R,11R,14R,15R)-16-(4-azidobutyl)-8-[(2S)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-9-methoxy-1,5,9,11,14-pentamethyl-3,18-dioxa-13,16-diazabicyclo[13.3.0]octadecane-4,6,12,17-tetrone;(1S,2R,5R,8R,9R,11R,14R,15R)-16-(4-azidobutyl)-8-[(2S)-4-(dimethylamino)-6-methyl-3-phosphorosooxan-2-yl]oxy-2-ethyl-9-methoxy-1,5,9,11,14-pentamethyl-3,18-dioxa-13,16-diazabicyclo[13.3.0]octadecane-4,6,12,17-tetrone;(4R,5S)-3-(4-azidobutyl)-4-[(2S,5R,7R,8R,9R)-8-[(2S)-4-(dimethylamino)-6-methyl-3-phosphorosooxan-2-yl]oxy-7-methoxy-5,7-dimethyl-4-oxo-9-(2,2,5-trimethyl-6-oxo-1,3-dioxin-4-yl)decan-2-yl]-5-[(1R)-1-hydroxypropyl]-5-methyl-1,3-oxazolidin-2-one;(2R,4R,5R,6R)-5-[(2S)-4-(dimethylamino)-6-methyl-3-phosphorosooxan-2-yl]oxy-4-methoxy-2,4-dimethyl-6-(2,2,5-trimethyl-6-oxo-1,3-dioxin-4-yl)heptanoic acid;methane;methanol is sourced from PubChem (CID 158421324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).