actinium;(4S,10S)-15-[(1R)-3-amino-1-hydroperoxy-2-hydroxybutyl]-1,4,9,12-tetrahydroxy-2,10,14,17,17-pentamethyl-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-11-one;N-[(4R)-4-hydroperoxy-3-hydroxy-4-[(4S,10S)-1,4,9,12-tetrahydroxy-2,10,14,17,17-pentamethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-15-yl]butan-2-yl]acetamide;3-(methoxycarbonylamino)-2-methylbutanoic acid;methyl N-[(4R)-4-[(4S,9S,10R,12R)-1,4-dihydroxy-2,9,10,12,14,17,17-heptamethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-15-yl]-4-hydroperoxy-3-methylbutan-2-yl]carbamate;methyl N-[(4R)-4-hydroperoxy-3-hydroxy-4-[(4S,10S)-1,4,9,12-tetrahydroxy-2,10,14,17,17-pentamethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-15-yl]butan-2-yl]carbamate;(4S,9S,10R,12R)-1,4,15-trihydroxy-2,9,10,12,14,17,17-heptamethyl-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-11-one

C139H225Ac5N5O47 — CID 158893513

About actinium;(4S,10S)-15-[(1R)-3-amino-1-hydroperoxy-2-hydroxybutyl]-1,4,9,12-tetrahydroxy-2,10,14,17,17-pentamethyl-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-11-one;N-[(4R)-4-hydroperoxy-3-hydroxy-4-[(4S,10S)-1,4,9,12-tetrahydroxy-2,10,14,17,17-pentamethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-15-yl]butan-2-yl]acetamide;3-(methoxycarbonylamino)-2-methylbutanoic acid;methyl N-[(4R)-4-[(4S,9S,10R,12R)-1,4-dihydroxy-2,9,10,12,14,17,17-heptamethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-15-yl]-4-hydroperoxy-3-methylbutan-2-yl]carbamate;methyl N-[(4R)-4-hydroperoxy-3-hydroxy-4-[(4S,10S)-1,4,9,12-tetrahydroxy-2,10,14,17,17-pentamethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-15-yl]butan-2-yl]carbamate;(4S,9S,10R,12R)-1,4,15-trihydroxy-2,9,10,12,14,17,17-heptamethyl-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-11-one

actinium;(4S,10S)-15-[(1R)-3-amino-1-hydroperoxy-2-hydroxybutyl]-1,4,9,12-tetrahydroxy-2,10,14,17,17-pentamethyl-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-11-one;N-[(4R)-4-hydroperoxy-3-hydroxy-4-[(4S,10S)-1,4,9,12-tetrahydroxy-2,10,14,17,17-pentamethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-15-yl]butan-2-yl]acetamide;3-(methoxycarbonylamino)-2-methylbutanoic acid;methyl N-[(4R)-4-[(4S,9S,10R,12R)-1,4-dihydroxy-2,9,10,12,14,17,17-heptamethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-15-yl]-4-hydroperoxy-3-methylbutan-2-yl]carbamate;methyl N-[(4R)-4-hydroperoxy-3-hydroxy-4-[(4S,10S)-1,4,9,12-tetrahydroxy-2,10,14,17,17-pentamethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-15-yl]butan-2-yl]carbamate;(4S,9S,10R,12R)-1,4,15-trihydroxy-2,9,10,12,14,17,17-heptamethyl-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-11-one (PubChem CID 158893513) has the molecular formula C139H225Ac5N5O47 and a molecular weight of 3853.32 g/mol. Its IUPAC name is actinium;(4S,10S)-15-[(1R)-3-amino-1-hydroperoxy-2-hydroxybutyl]-1,4,9,12-tetrahydroxy-2,10,14,17,17-pentamethyl-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-11-one;N-[(4R)-4-hydroperoxy-3-hydroxy-4-[(4S,10S)-1,4,9,12-tetrahydroxy-2,10,14,17,17-pentamethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-15-yl]butan-2-yl]acetamide;3-(methoxycarbonylamino)-2-methylbutanoic acid;methyl N-[(4R)-4-[(4S,9S,10R,12R)-1,4-dihydroxy-2,9,10,12,14,17,17-heptamethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-15-yl]-4-hydroperoxy-3-methylbutan-2-yl]carbamate;methyl N-[(4R)-4-hydroperoxy-3-hydroxy-4-[(4S,10S)-1,4,9,12-tetrahydroxy-2,10,14,17,17-pentamethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-15-yl]butan-2-yl]carbamate;(4S,9S,10R,12R)-1,4,15-trihydroxy-2,9,10,12,14,17,17-heptamethyl-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-11-one.

Molecular Properties

• Compound Name: actinium;(4S,10S)-15-[(1R)-3-amino-1-hydroperoxy-2-hydroxybutyl]-1,4,9,12-tetrahydroxy-2,10,14,17,17-pentamethyl-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-11-one;N-[(4R)-4-hydroperoxy-3-hydroxy-4-[(4S,10S)-1,4,9,12-tetrahydroxy-2,10,14,17,17-pentamethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-15-yl]butan-2-yl]acetamide;3-(methoxycarbonylamino)-2-methylbutanoic acid;methyl N-[(4R)-4-[(4S,9S,10R,12R)-1,4-dihydroxy-2,9,10,12,14,17,17-heptamethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-15-yl]-4-hydroperoxy-3-methylbutan-2-yl]carbamate;methyl N-[(4R)-4-hydroperoxy-3-hydroxy-4-[(4S,10S)-1,4,9,12-tetrahydroxy-2,10,14,17,17-pentamethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-15-yl]butan-2-yl]carbamate;(4S,9S,10R,12R)-1,4,15-trihydroxy-2,9,10,12,14,17,17-heptamethyl-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-11-one
• PubChem CID: 158893513
• Molecular Formula: C139H225Ac5N5O47
• Molecular Weight: 3853.32 g/mol
• Exact Mass: 3851.68
• IUPAC Name: actinium;(4S,10S)-15-[(1R)-3-amino-1-hydroperoxy-2-hydroxybutyl]-1,4,9,12-tetrahydroxy-2,10,14,17,17-pentamethyl-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-11-one;N-[(4R)-4-hydroperoxy-3-hydroxy-4-[(4S,10S)-1,4,9,12-tetrahydroxy-2,10,14,17,17-pentamethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-15-yl]butan-2-yl]acetamide;3-(methoxycarbonylamino)-2-methylbutanoic acid;methyl N-[(4R)-4-[(4S,9S,10R,12R)-1,4-dihydroxy-2,9,10,12,14,17,17-heptamethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-15-yl]-4-hydroperoxy-3-methylbutan-2-yl]carbamate;methyl N-[(4R)-4-hydroperoxy-3-hydroxy-4-[(4S,10S)-1,4,9,12-tetrahydroxy-2,10,14,17,17-pentamethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-15-yl]butan-2-yl]carbamate;(4S,9S,10R,12R)-1,4,15-trihydroxy-2,9,10,12,14,17,17-heptamethyl-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-11-one
• SMILES: CC(=O)NC(C)C(O)[C@H](OO)C1CC2(O)C(C)C3[C@]4(O)COC4CC(O)[C@@]3(C)C(=O)C(O)C(=C1C)C2(C)C.CC1=C2C(O)C(=O)[C@]3(C)C(O)CC4OC[C@@]4(O)C3C(C)C(O)(CC1[C@@H](OO)C(O)C(C)N)C2(C)C.CC1=C2[C@@H](C)C(=O)[C@@]3(C)C(C(C)C(O)(CC1O)C2(C)C)[C@]1(O)COC1C[C@@H]3C.COC(=O)NC(C)C(C)C(=O)O.COC(=O)NC(C)C(C)[C@H](OO)C1CC2(O)C(C)C3[C@]4(O)COC4C[C@H](C)[C@@]3(C)C(=O)[C@H](C)C(=C1C)C2(C)C.COC(=O)NC(C)C(O)[C@H](OO)C1CC2(O)C(C)C3[C@]4(O)COC4CC(O)[C@@]3(C)C(=O)C(O)C(=C1C)C2(C)C.[Ac].[Ac].[Ac].[Ac].[Ac]
• InChI: InChI=1S/C30H49NO8.C27H43NO11.C27H43NO10.C25H41NO9.C23H36O5.C7H13NO4.5Ac/c1-14-11-21-29(34,13-38-21)24-18(5)30(35)12-20(23(39-36)15(2)19(6)31-26(33)37-10)16(3)22(27(30,7)8)17(4)25(32)28(14,24)9;1-11-14(20(39-36)18(30)13(3)28-23(33)37-7)9-27(35)12(2)21-25(6,15(29)8-16-26(21,34)10-38-16)22(32)19(31)17(11)24(27,4)5;1-11-15(21(38-36)19(31)13(3)28-14(4)29)9-27(35)12(2)22-25(7,16(30)8-17-26(22,34)10-37-17)23(33)20(32)18(11)24(27,5)6;1-10-13(19(35-33)17(28)12(3)26)8-25(32)11(2)20-23(6,14(27)7-15-24(20,31)9-34-15)21(30)18(29)16(10)22(25,4)5;1-11-8-16-22(26,10-28-16)18-14(4)23(27)9-15(24)12(2)17(20(23,5)6)13(3)19(25)21(11,18)7;1-4(6(9)10)5(2)8-7(11)12-3;;;;;/h14-15,17-21,23-24,34-36H,11-13H2,1-10H3,(H,31,33);12-16,18-21,29-31,34-36H,8-10H2,1-7H3,(H,28,33);12-13,15-17,19-22,30-32,34-36H,8-10H2,1-7H3,(H,28,29);11-15,17-20,27-29,31-33H,7-9,26H2,1-6H3;11,13-16,18,24,26-27H,8-10H2,1-7H3;4-5H,1-3H3,(H,8,11)(H,9,10);;;;;/t14-,15?,17+,18?,19?,20?,21?,23-,24?,28+,29-,30?;12?,13?,14?,15?,16?,18?,19?,20-,21?,25-,26+,27?;12?,13?,15?,16?,17?,19?,20?,21-,22?,25-,26+,27?;11?,12?,13?,14?,15?,17?,18?,19-,20?,23-,24+,25?;11-,13+,14?,15?,16?,18?,21+,22-,23?;;;;;;/m01110....../s1
• InChIKey: WKMRTJWMWRMVOX-KBUNJTTDSA-N
• XLogP: 6.69
• TPSA: 861.35 Ų
• H-Bond Donors: 30
• H-Bond Acceptors: 47
• Rotatable Bonds: 22
• Heavy Atoms: 196
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3853.32
LogP ≤ 5	6.69
H-Bond Donors ≤ 5	30
H-Bond Acceptors ≤ 10	47

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of actinium;(4S,10S)-15-[(1R)-3-amino-1-hydroperoxy-2-hydroxybutyl]-1,4,9,12-tetrahydroxy-2,10,14,17,17-pentamethyl-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-11-one;N-[(4R)-4-hydroperoxy-3-hydroxy-4-[(4S,10S)-1,4,9,12-tetrahydroxy-2,10,14,17,17-pentamethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-15-yl]butan-2-yl]acetamide;3-(methoxycarbonylamino)-2-methylbutanoic acid;methyl N-[(4R)-4-[(4S,9S,10R,12R)-1,4-dihydroxy-2,9,10,12,14,17,17-heptamethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-15-yl]-4-hydroperoxy-3-methylbutan-2-yl]carbamate;methyl N-[(4R)-4-hydroperoxy-3-hydroxy-4-[(4S,10S)-1,4,9,12-tetrahydroxy-2,10,14,17,17-pentamethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-15-yl]butan-2-yl]carbamate;(4S,9S,10R,12R)-1,4,15-trihydroxy-2,9,10,12,14,17,17-heptamethyl-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-11-one?

The IUPAC name of actinium;(4S,10S)-15-[(1R)-3-amino-1-hydroperoxy-2-hydroxybutyl]-1,4,9,12-tetrahydroxy-2,10,14,17,17-pentamethyl-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-11-one;N-[(4R)-4-hydroperoxy-3-hydroxy-4-[(4S,10S)-1,4,9,12-tetrahydroxy-2,10,14,17,17-pentamethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-15-yl]butan-2-yl]acetamide;3-(methoxycarbonylamino)-2-methylbutanoic acid;methyl N-[(4R)-4-[(4S,9S,10R,12R)-1,4-dihydroxy-2,9,10,12,14,17,17-heptamethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-15-yl]-4-hydroperoxy-3-methylbutan-2-yl]carbamate;methyl N-[(4R)-4-hydroperoxy-3-hydroxy-4-[(4S,10S)-1,4,9,12-tetrahydroxy-2,10,14,17,17-pentamethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-15-yl]butan-2-yl]carbamate;(4S,9S,10R,12R)-1,4,15-trihydroxy-2,9,10,12,14,17,17-heptamethyl-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-11-one (CID 158893513) is actinium;(4S,10S)-15-[(1R)-3-amino-1-hydroperoxy-2-hydroxybutyl]-1,4,9,12-tetrahydroxy-2,10,14,17,17-pentamethyl-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-11-one;N-[(4R)-4-hydroperoxy-3-hydroxy-4-[(4S,10S)-1,4,9,12-tetrahydroxy-2,10,14,17,17-pentamethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-15-yl]butan-2-yl]acetamide;3-(methoxycarbonylamino)-2-methylbutanoic acid;methyl N-[(4R)-4-[(4S,9S,10R,12R)-1,4-dihydroxy-2,9,10,12,14,17,17-heptamethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-15-yl]-4-hydroperoxy-3-methylbutan-2-yl]carbamate;methyl N-[(4R)-4-hydroperoxy-3-hydroxy-4-[(4S,10S)-1,4,9,12-tetrahydroxy-2,10,14,17,17-pentamethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-15-yl]butan-2-yl]carbamate;(4S,9S,10R,12R)-1,4,15-trihydroxy-2,9,10,12,14,17,17-heptamethyl-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-11-one.

What is the SMILES notation for actinium;(4S,10S)-15-[(1R)-3-amino-1-hydroperoxy-2-hydroxybutyl]-1,4,9,12-tetrahydroxy-2,10,14,17,17-pentamethyl-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-11-one;N-[(4R)-4-hydroperoxy-3-hydroxy-4-[(4S,10S)-1,4,9,12-tetrahydroxy-2,10,14,17,17-pentamethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-15-yl]butan-2-yl]acetamide;3-(methoxycarbonylamino)-2-methylbutanoic acid;methyl N-[(4R)-4-[(4S,9S,10R,12R)-1,4-dihydroxy-2,9,10,12,14,17,17-heptamethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-15-yl]-4-hydroperoxy-3-methylbutan-2-yl]carbamate;methyl N-[(4R)-4-hydroperoxy-3-hydroxy-4-[(4S,10S)-1,4,9,12-tetrahydroxy-2,10,14,17,17-pentamethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-15-yl]butan-2-yl]carbamate;(4S,9S,10R,12R)-1,4,15-trihydroxy-2,9,10,12,14,17,17-heptamethyl-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-11-one?

The canonical SMILES for actinium;(4S,10S)-15-[(1R)-3-amino-1-hydroperoxy-2-hydroxybutyl]-1,4,9,12-tetrahydroxy-2,10,14,17,17-pentamethyl-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-11-one;N-[(4R)-4-hydroperoxy-3-hydroxy-4-[(4S,10S)-1,4,9,12-tetrahydroxy-2,10,14,17,17-pentamethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-15-yl]butan-2-yl]acetamide;3-(methoxycarbonylamino)-2-methylbutanoic acid;methyl N-[(4R)-4-[(4S,9S,10R,12R)-1,4-dihydroxy-2,9,10,12,14,17,17-heptamethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-15-yl]-4-hydroperoxy-3-methylbutan-2-yl]carbamate;methyl N-[(4R)-4-hydroperoxy-3-hydroxy-4-[(4S,10S)-1,4,9,12-tetrahydroxy-2,10,14,17,17-pentamethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-15-yl]butan-2-yl]carbamate;(4S,9S,10R,12R)-1,4,15-trihydroxy-2,9,10,12,14,17,17-heptamethyl-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-11-one is CC(=O)NC(C)C(O)[C@H](OO)C1CC2(O)C(C)C3[C@]4(O)COC4CC(O)[C@@]3(C)C(=O)C(O)C(=C1C)C2(C)C.CC1=C2C(O)C(=O)[C@]3(C)C(O)CC4OC[C@@]4(O)C3C(C)C(O)(CC1[C@@H](OO)C(O)C(C)N)C2(C)C.CC1=C2[C@@H](C)C(=O)[C@@]3(C)C(C(C)C(O)(CC1O)C2(C)C)[C@]1(O)COC1C[C@@H]3C.COC(=O)NC(C)C(C)C(=O)O.COC(=O)NC(C)C(C)[C@H](OO)C1CC2(O)C(C)C3[C@]4(O)COC4C[C@H](C)[C@@]3(C)C(=O)[C@H](C)C(=C1C)C2(C)C.COC(=O)NC(C)C(O)[C@H](OO)C1CC2(O)C(C)C3[C@]4(O)COC4CC(O)[C@@]3(C)C(=O)C(O)C(=C1C)C2(C)C.[Ac].[Ac].[Ac].[Ac].[Ac].

What is the InChIKey of actinium;(4S,10S)-15-[(1R)-3-amino-1-hydroperoxy-2-hydroxybutyl]-1,4,9,12-tetrahydroxy-2,10,14,17,17-pentamethyl-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-11-one;N-[(4R)-4-hydroperoxy-3-hydroxy-4-[(4S,10S)-1,4,9,12-tetrahydroxy-2,10,14,17,17-pentamethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-15-yl]butan-2-yl]acetamide;3-(methoxycarbonylamino)-2-methylbutanoic acid;methyl N-[(4R)-4-[(4S,9S,10R,12R)-1,4-dihydroxy-2,9,10,12,14,17,17-heptamethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-15-yl]-4-hydroperoxy-3-methylbutan-2-yl]carbamate;methyl N-[(4R)-4-hydroperoxy-3-hydroxy-4-[(4S,10S)-1,4,9,12-tetrahydroxy-2,10,14,17,17-pentamethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-15-yl]butan-2-yl]carbamate;(4S,9S,10R,12R)-1,4,15-trihydroxy-2,9,10,12,14,17,17-heptamethyl-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-11-one?

The InChIKey is WKMRTJWMWRMVOX-KBUNJTTDSA-N. The full InChI is InChI=1S/C30H49NO8.C27H43NO11.C27H43NO10.C25H41NO9.C23H36O5.C7H13NO4.5Ac/c1-14-11-21-29(34,13-38-21)24-18(5)30(35)12-20(23(39-36)15(2)19(6)31-26(33)37-10)16(3)22(27(30,7)8)17(4)25(32)28(14,24)9;1-11-14(20(39-36)18(30)13(3)28-23(33)37-7)9-27(35)12(2)21-25(6,15(29)8-16-26(21,34)10-38-16)22(32)19(31)17(11)24(27,4)5;1-11-15(21(38-36)19(31)13(3)28-14(4)29)9-27(35)12(2)22-25(7,16(30)8-17-26(22,34)10-37-17)23(33)20(32)18(11)24(27,5)6;1-10-13(19(35-33)17(28)12(3)26)8-25(32)11(2)20-23(6,14(27)7-15-24(20,31)9-34-15)21(30)18(29)16(10)22(25,4)5;1-11-8-16-22(26,10-28-16)18-14(4)23(27)9-15(24)12(2)17(20(23,5)6)13(3)19(25)21(11,18)7;1-4(6(9)10)5(2)8-7(11)12-3;;;;;/h14-15,17-21,23-24,34-36H,11-13H2,1-10H3,(H,31,33);12-16,18-21,29-31,34-36H,8-10H2,1-7H3,(H,28,33);12-13,15-17,19-22,30-32,34-36H,8-10H2,1-7H3,(H,28,29);11-15,17-20,27-29,31-33H,7-9,26H2,1-6H3;11,13-16,18,24,26-27H,8-10H2,1-7H3;4-5H,1-3H3,(H,8,11)(H,9,10);;;;;/t14-,15?,17+,18?,19?,20?,21?,23-,24?,28+,29-,30?;12?,13?,14?,15?,16?,18?,19?,20-,21?,25-,26+,27?;12?,13?,15?,16?,17?,19?,20?,21-,22?,25-,26+,27?;11?,12?,13?,14?,15?,17?,18?,19-,20?,23-,24+,25?;11-,13+,14?,15?,16?,18?,21+,22-,23?;;;;;;/m01110....../s1.

What are the key properties of actinium;(4S,10S)-15-[(1R)-3-amino-1-hydroperoxy-2-hydroxybutyl]-1,4,9,12-tetrahydroxy-2,10,14,17,17-pentamethyl-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-11-one;N-[(4R)-4-hydroperoxy-3-hydroxy-4-[(4S,10S)-1,4,9,12-tetrahydroxy-2,10,14,17,17-pentamethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-15-yl]butan-2-yl]acetamide;3-(methoxycarbonylamino)-2-methylbutanoic acid;methyl N-[(4R)-4-[(4S,9S,10R,12R)-1,4-dihydroxy-2,9,10,12,14,17,17-heptamethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-15-yl]-4-hydroperoxy-3-methylbutan-2-yl]carbamate;methyl N-[(4R)-4-hydroperoxy-3-hydroxy-4-[(4S,10S)-1,4,9,12-tetrahydroxy-2,10,14,17,17-pentamethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-15-yl]butan-2-yl]carbamate;(4S,9S,10R,12R)-1,4,15-trihydroxy-2,9,10,12,14,17,17-heptamethyl-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-11-one?

actinium;(4S,10S)-15-[(1R)-3-amino-1-hydroperoxy-2-hydroxybutyl]-1,4,9,12-tetrahydroxy-2,10,14,17,17-pentamethyl-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-11-one;N-[(4R)-4-hydroperoxy-3-hydroxy-4-[(4S,10S)-1,4,9,12-tetrahydroxy-2,10,14,17,17-pentamethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-15-yl]butan-2-yl]acetamide;3-(methoxycarbonylamino)-2-methylbutanoic acid;methyl N-[(4R)-4-[(4S,9S,10R,12R)-1,4-dihydroxy-2,9,10,12,14,17,17-heptamethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-15-yl]-4-hydroperoxy-3-methylbutan-2-yl]carbamate;methyl N-[(4R)-4-hydroperoxy-3-hydroxy-4-[(4S,10S)-1,4,9,12-tetrahydroxy-2,10,14,17,17-pentamethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-15-yl]butan-2-yl]carbamate;(4S,9S,10R,12R)-1,4,15-trihydroxy-2,9,10,12,14,17,17-heptamethyl-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-11-one has a molecular weight of 3853.32 g/mol, XLogP of 6.69, 22 rotatable bonds, 30 hydrogen bond donors, and 47 hydrogen bond acceptors.

Where does this data come from?

All data for actinium;(4S,10S)-15-[(1R)-3-amino-1-hydroperoxy-2-hydroxybutyl]-1,4,9,12-tetrahydroxy-2,10,14,17,17-pentamethyl-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-11-one;N-[(4R)-4-hydroperoxy-3-hydroxy-4-[(4S,10S)-1,4,9,12-tetrahydroxy-2,10,14,17,17-pentamethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-15-yl]butan-2-yl]acetamide;3-(methoxycarbonylamino)-2-methylbutanoic acid;methyl N-[(4R)-4-[(4S,9S,10R,12R)-1,4-dihydroxy-2,9,10,12,14,17,17-heptamethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-15-yl]-4-hydroperoxy-3-methylbutan-2-yl]carbamate;methyl N-[(4R)-4-hydroperoxy-3-hydroxy-4-[(4S,10S)-1,4,9,12-tetrahydroxy-2,10,14,17,17-pentamethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-15-yl]butan-2-yl]carbamate;(4S,9S,10R,12R)-1,4,15-trihydroxy-2,9,10,12,14,17,17-heptamethyl-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-11-one is sourced from PubChem (CID 158893513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).