11,25-dihydroxy-3,15-bis(1-hydroxyethyl)-6-[1-hydroxy-2-(4-hydroxyphenyl)ethyl]-18,26-dimethyl-1,4,7,13,16,22-hexazatricyclo[22.3.0.09,13]heptacosane-2,5,8,14,17,23-hexone;6-[1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl]-11,20,21,25-tetrahydroxy-3,15-bis(1-hydroxyethyl)-18,26-dimethyl-1,4,7,13,16,22-hexazatricyclo[22.3.0.09,13]heptacosane-2,5,8,14,17,23-hexone;11,20,21,25-tetrahydroxy-3,15-bis(1-hydroxyethyl)-6-[1-hydroxy-2-(4-hydroxyphenyl)ethyl]-18,26-dimethyl-1,4,7,13,16,22-hexazatricyclo[22.3.0.09,13]heptacosane-2,5,8,14,17,23-hexone

C105H156N18O41 — CID 161084263

About 11,25-dihydroxy-3,15-bis(1-hydroxyethyl)-6-[1-hydroxy-2-(4-hydroxyphenyl)ethyl]-18,26-dimethyl-1,4,7,13,16,22-hexazatricyclo[22.3.0.09,13]heptacosane-2,5,8,14,17,23-hexone;6-[1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl]-11,20,21,25-tetrahydroxy-3,15-bis(1-hydroxyethyl)-18,26-dimethyl-1,4,7,13,16,22-hexazatricyclo[22.3.0.09,13]heptacosane-2,5,8,14,17,23-hexone;11,20,21,25-tetrahydroxy-3,15-bis(1-hydroxyethyl)-6-[1-hydroxy-2-(4-hydroxyphenyl)ethyl]-18,26-dimethyl-1,4,7,13,16,22-hexazatricyclo[22.3.0.09,13]heptacosane-2,5,8,14,17,23-hexone

11,25-dihydroxy-3,15-bis(1-hydroxyethyl)-6-[1-hydroxy-2-(4-hydroxyphenyl)ethyl]-18,26-dimethyl-1,4,7,13,16,22-hexazatricyclo[22.3.0.09,13]heptacosane-2,5,8,14,17,23-hexone;6-[1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl]-11,20,21,25-tetrahydroxy-3,15-bis(1-hydroxyethyl)-18,26-dimethyl-1,4,7,13,16,22-hexazatricyclo[22.3.0.09,13]heptacosane-2,5,8,14,17,23-hexone;11,20,21,25-tetrahydroxy-3,15-bis(1-hydroxyethyl)-6-[1-hydroxy-2-(4-hydroxyphenyl)ethyl]-18,26-dimethyl-1,4,7,13,16,22-hexazatricyclo[22.3.0.09,13]heptacosane-2,5,8,14,17,23-hexone (PubChem CID 161084263) has the molecular formula C105H156N18O41 and a molecular weight of 2326.49 g/mol. Its IUPAC name is 11,25-dihydroxy-3,15-bis(1-hydroxyethyl)-6-[1-hydroxy-2-(4-hydroxyphenyl)ethyl]-18,26-dimethyl-1,4,7,13,16,22-hexazatricyclo[22.3.0.09,13]heptacosane-2,5,8,14,17,23-hexone;6-[1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl]-11,20,21,25-tetrahydroxy-3,15-bis(1-hydroxyethyl)-18,26-dimethyl-1,4,7,13,16,22-hexazatricyclo[22.3.0.09,13]heptacosane-2,5,8,14,17,23-hexone;11,20,21,25-tetrahydroxy-3,15-bis(1-hydroxyethyl)-6-[1-hydroxy-2-(4-hydroxyphenyl)ethyl]-18,26-dimethyl-1,4,7,13,16,22-hexazatricyclo[22.3.0.09,13]heptacosane-2,5,8,14,17,23-hexone.

Molecular Properties

• Compound Name: 11,25-dihydroxy-3,15-bis(1-hydroxyethyl)-6-[1-hydroxy-2-(4-hydroxyphenyl)ethyl]-18,26-dimethyl-1,4,7,13,16,22-hexazatricyclo[22.3.0.09,13]heptacosane-2,5,8,14,17,23-hexone;6-[1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl]-11,20,21,25-tetrahydroxy-3,15-bis(1-hydroxyethyl)-18,26-dimethyl-1,4,7,13,16,22-hexazatricyclo[22.3.0.09,13]heptacosane-2,5,8,14,17,23-hexone;11,20,21,25-tetrahydroxy-3,15-bis(1-hydroxyethyl)-6-[1-hydroxy-2-(4-hydroxyphenyl)ethyl]-18,26-dimethyl-1,4,7,13,16,22-hexazatricyclo[22.3.0.09,13]heptacosane-2,5,8,14,17,23-hexone
• PubChem CID: 161084263
• Molecular Formula: C105H156N18O41
• Molecular Weight: 2326.49 g/mol
• Exact Mass: 2325.07
• IUPAC Name: 11,25-dihydroxy-3,15-bis(1-hydroxyethyl)-6-[1-hydroxy-2-(4-hydroxyphenyl)ethyl]-18,26-dimethyl-1,4,7,13,16,22-hexazatricyclo[22.3.0.09,13]heptacosane-2,5,8,14,17,23-hexone;6-[1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl]-11,20,21,25-tetrahydroxy-3,15-bis(1-hydroxyethyl)-18,26-dimethyl-1,4,7,13,16,22-hexazatricyclo[22.3.0.09,13]heptacosane-2,5,8,14,17,23-hexone;11,20,21,25-tetrahydroxy-3,15-bis(1-hydroxyethyl)-6-[1-hydroxy-2-(4-hydroxyphenyl)ethyl]-18,26-dimethyl-1,4,7,13,16,22-hexazatricyclo[22.3.0.09,13]heptacosane-2,5,8,14,17,23-hexone
• SMILES: CC1CC(O)C(O)NC(=O)C2C(O)C(C)CN2C(=O)C(C(C)O)NC(=O)C(C(O)C(O)c2ccc(O)cc2)NC(=O)C2CC(O)CN2C(=O)C(C(C)O)NC1=O.CC1CC(O)C(O)NC(=O)C2C(O)C(C)CN2C(=O)C(C(C)O)NC(=O)C(C(O)Cc2ccc(O)cc2)NC(=O)C2CC(O)CN2C(=O)C(C(C)O)NC1=O.CC1CCCNC(=O)C2C(O)C(C)CN2C(=O)C(C(C)O)NC(=O)C(C(O)Cc2ccc(O)cc2)NC(=O)C2CC(O)CN2C(=O)C(C(C)O)NC1=O
• InChI: InChI=1S/C35H52N6O15.C35H52N6O14.C35H52N6O12/c1-13-9-21(46)31(52)39-33(54)25-26(47)14(2)11-41(25)35(56)23(16(4)43)37-32(53)24(28(49)27(48)17-5-7-18(44)8-6-17)38-30(51)20-10-19(45)12-40(20)34(55)22(15(3)42)36-29(13)50;1-14-9-23(47)31(51)39-33(53)27-28(48)15(2)12-41(27)35(55)25(17(4)43)37-32(52)26(22(46)10-18-5-7-19(44)8-6-18)38-30(50)21-11-20(45)13-40(21)34(54)24(16(3)42)36-29(14)49;1-16-6-5-11-36-33(51)28-29(47)17(2)14-41(28)35(53)26(19(4)43)38-32(50)27(24(46)12-20-7-9-21(44)10-8-20)39-31(49)23-13-22(45)15-40(23)34(52)25(18(3)42)37-30(16)48/h5-8,13-16,19-28,31,42-49,52H,9-12H2,1-4H3,(H,36,50)(H,37,53)(H,38,51)(H,39,54);5-8,14-17,20-28,31,42-48,51H,9-13H2,1-4H3,(H,36,49)(H,37,52)(H,38,50)(H,39,53);7-10,16-19,22-29,42-47H,5-6,11-15H2,1-4H3,(H,36,51)(H,37,48)(H,38,50)(H,39,49)
• InChIKey: UGHMDLPMUABPMP-UHFFFAOYSA-N
• XLogP: -15.25
• TPSA: 936.35 Ų
• H-Bond Donors: 35
• H-Bond Acceptors: 41
• Rotatable Bonds: 15
• Heavy Atoms: 164
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2326.49
LogP ≤ 5	-15.25
H-Bond Donors ≤ 5	35
H-Bond Acceptors ≤ 10	41

Frequently Asked Questions

What is the IUPAC name of 11,25-dihydroxy-3,15-bis(1-hydroxyethyl)-6-[1-hydroxy-2-(4-hydroxyphenyl)ethyl]-18,26-dimethyl-1,4,7,13,16,22-hexazatricyclo[22.3.0.09,13]heptacosane-2,5,8,14,17,23-hexone;6-[1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl]-11,20,21,25-tetrahydroxy-3,15-bis(1-hydroxyethyl)-18,26-dimethyl-1,4,7,13,16,22-hexazatricyclo[22.3.0.09,13]heptacosane-2,5,8,14,17,23-hexone;11,20,21,25-tetrahydroxy-3,15-bis(1-hydroxyethyl)-6-[1-hydroxy-2-(4-hydroxyphenyl)ethyl]-18,26-dimethyl-1,4,7,13,16,22-hexazatricyclo[22.3.0.09,13]heptacosane-2,5,8,14,17,23-hexone?

The IUPAC name of 11,25-dihydroxy-3,15-bis(1-hydroxyethyl)-6-[1-hydroxy-2-(4-hydroxyphenyl)ethyl]-18,26-dimethyl-1,4,7,13,16,22-hexazatricyclo[22.3.0.09,13]heptacosane-2,5,8,14,17,23-hexone;6-[1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl]-11,20,21,25-tetrahydroxy-3,15-bis(1-hydroxyethyl)-18,26-dimethyl-1,4,7,13,16,22-hexazatricyclo[22.3.0.09,13]heptacosane-2,5,8,14,17,23-hexone;11,20,21,25-tetrahydroxy-3,15-bis(1-hydroxyethyl)-6-[1-hydroxy-2-(4-hydroxyphenyl)ethyl]-18,26-dimethyl-1,4,7,13,16,22-hexazatricyclo[22.3.0.09,13]heptacosane-2,5,8,14,17,23-hexone (CID 161084263) is 11,25-dihydroxy-3,15-bis(1-hydroxyethyl)-6-[1-hydroxy-2-(4-hydroxyphenyl)ethyl]-18,26-dimethyl-1,4,7,13,16,22-hexazatricyclo[22.3.0.09,13]heptacosane-2,5,8,14,17,23-hexone;6-[1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl]-11,20,21,25-tetrahydroxy-3,15-bis(1-hydroxyethyl)-18,26-dimethyl-1,4,7,13,16,22-hexazatricyclo[22.3.0.09,13]heptacosane-2,5,8,14,17,23-hexone;11,20,21,25-tetrahydroxy-3,15-bis(1-hydroxyethyl)-6-[1-hydroxy-2-(4-hydroxyphenyl)ethyl]-18,26-dimethyl-1,4,7,13,16,22-hexazatricyclo[22.3.0.09,13]heptacosane-2,5,8,14,17,23-hexone.

What is the SMILES notation for 11,25-dihydroxy-3,15-bis(1-hydroxyethyl)-6-[1-hydroxy-2-(4-hydroxyphenyl)ethyl]-18,26-dimethyl-1,4,7,13,16,22-hexazatricyclo[22.3.0.09,13]heptacosane-2,5,8,14,17,23-hexone;6-[1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl]-11,20,21,25-tetrahydroxy-3,15-bis(1-hydroxyethyl)-18,26-dimethyl-1,4,7,13,16,22-hexazatricyclo[22.3.0.09,13]heptacosane-2,5,8,14,17,23-hexone;11,20,21,25-tetrahydroxy-3,15-bis(1-hydroxyethyl)-6-[1-hydroxy-2-(4-hydroxyphenyl)ethyl]-18,26-dimethyl-1,4,7,13,16,22-hexazatricyclo[22.3.0.09,13]heptacosane-2,5,8,14,17,23-hexone?

The canonical SMILES for 11,25-dihydroxy-3,15-bis(1-hydroxyethyl)-6-[1-hydroxy-2-(4-hydroxyphenyl)ethyl]-18,26-dimethyl-1,4,7,13,16,22-hexazatricyclo[22.3.0.09,13]heptacosane-2,5,8,14,17,23-hexone;6-[1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl]-11,20,21,25-tetrahydroxy-3,15-bis(1-hydroxyethyl)-18,26-dimethyl-1,4,7,13,16,22-hexazatricyclo[22.3.0.09,13]heptacosane-2,5,8,14,17,23-hexone;11,20,21,25-tetrahydroxy-3,15-bis(1-hydroxyethyl)-6-[1-hydroxy-2-(4-hydroxyphenyl)ethyl]-18,26-dimethyl-1,4,7,13,16,22-hexazatricyclo[22.3.0.09,13]heptacosane-2,5,8,14,17,23-hexone is CC1CC(O)C(O)NC(=O)C2C(O)C(C)CN2C(=O)C(C(C)O)NC(=O)C(C(O)C(O)c2ccc(O)cc2)NC(=O)C2CC(O)CN2C(=O)C(C(C)O)NC1=O.CC1CC(O)C(O)NC(=O)C2C(O)C(C)CN2C(=O)C(C(C)O)NC(=O)C(C(O)Cc2ccc(O)cc2)NC(=O)C2CC(O)CN2C(=O)C(C(C)O)NC1=O.CC1CCCNC(=O)C2C(O)C(C)CN2C(=O)C(C(C)O)NC(=O)C(C(O)Cc2ccc(O)cc2)NC(=O)C2CC(O)CN2C(=O)C(C(C)O)NC1=O.

What is the InChIKey of 11,25-dihydroxy-3,15-bis(1-hydroxyethyl)-6-[1-hydroxy-2-(4-hydroxyphenyl)ethyl]-18,26-dimethyl-1,4,7,13,16,22-hexazatricyclo[22.3.0.09,13]heptacosane-2,5,8,14,17,23-hexone;6-[1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl]-11,20,21,25-tetrahydroxy-3,15-bis(1-hydroxyethyl)-18,26-dimethyl-1,4,7,13,16,22-hexazatricyclo[22.3.0.09,13]heptacosane-2,5,8,14,17,23-hexone;11,20,21,25-tetrahydroxy-3,15-bis(1-hydroxyethyl)-6-[1-hydroxy-2-(4-hydroxyphenyl)ethyl]-18,26-dimethyl-1,4,7,13,16,22-hexazatricyclo[22.3.0.09,13]heptacosane-2,5,8,14,17,23-hexone?

The InChIKey is UGHMDLPMUABPMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H52N6O15.C35H52N6O14.C35H52N6O12/c1-13-9-21(46)31(52)39-33(54)25-26(47)14(2)11-41(25)35(56)23(16(4)43)37-32(53)24(28(49)27(48)17-5-7-18(44)8-6-17)38-30(51)20-10-19(45)12-40(20)34(55)22(15(3)42)36-29(13)50;1-14-9-23(47)31(51)39-33(53)27-28(48)15(2)12-41(27)35(55)25(17(4)43)37-32(52)26(22(46)10-18-5-7-19(44)8-6-18)38-30(50)21-11-20(45)13-40(21)34(54)24(16(3)42)36-29(14)49;1-16-6-5-11-36-33(51)28-29(47)17(2)14-41(28)35(53)26(19(4)43)38-32(50)27(24(46)12-20-7-9-21(44)10-8-20)39-31(49)23-13-22(45)15-40(23)34(52)25(18(3)42)37-30(16)48/h5-8,13-16,19-28,31,42-49,52H,9-12H2,1-4H3,(H,36,50)(H,37,53)(H,38,51)(H,39,54);5-8,14-17,20-28,31,42-48,51H,9-13H2,1-4H3,(H,36,49)(H,37,52)(H,38,50)(H,39,53);7-10,16-19,22-29,42-47H,5-6,11-15H2,1-4H3,(H,36,51)(H,37,48)(H,38,50)(H,39,49).

What are the key properties of 11,25-dihydroxy-3,15-bis(1-hydroxyethyl)-6-[1-hydroxy-2-(4-hydroxyphenyl)ethyl]-18,26-dimethyl-1,4,7,13,16,22-hexazatricyclo[22.3.0.09,13]heptacosane-2,5,8,14,17,23-hexone;6-[1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl]-11,20,21,25-tetrahydroxy-3,15-bis(1-hydroxyethyl)-18,26-dimethyl-1,4,7,13,16,22-hexazatricyclo[22.3.0.09,13]heptacosane-2,5,8,14,17,23-hexone;11,20,21,25-tetrahydroxy-3,15-bis(1-hydroxyethyl)-6-[1-hydroxy-2-(4-hydroxyphenyl)ethyl]-18,26-dimethyl-1,4,7,13,16,22-hexazatricyclo[22.3.0.09,13]heptacosane-2,5,8,14,17,23-hexone?

11,25-dihydroxy-3,15-bis(1-hydroxyethyl)-6-[1-hydroxy-2-(4-hydroxyphenyl)ethyl]-18,26-dimethyl-1,4,7,13,16,22-hexazatricyclo[22.3.0.09,13]heptacosane-2,5,8,14,17,23-hexone;6-[1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl]-11,20,21,25-tetrahydroxy-3,15-bis(1-hydroxyethyl)-18,26-dimethyl-1,4,7,13,16,22-hexazatricyclo[22.3.0.09,13]heptacosane-2,5,8,14,17,23-hexone;11,20,21,25-tetrahydroxy-3,15-bis(1-hydroxyethyl)-6-[1-hydroxy-2-(4-hydroxyphenyl)ethyl]-18,26-dimethyl-1,4,7,13,16,22-hexazatricyclo[22.3.0.09,13]heptacosane-2,5,8,14,17,23-hexone has a molecular weight of 2326.49 g/mol, XLogP of -15.25, 15 rotatable bonds, 35 hydrogen bond donors, and 41 hydrogen bond acceptors.

Where does this data come from?

All data for 11,25-dihydroxy-3,15-bis(1-hydroxyethyl)-6-[1-hydroxy-2-(4-hydroxyphenyl)ethyl]-18,26-dimethyl-1,4,7,13,16,22-hexazatricyclo[22.3.0.09,13]heptacosane-2,5,8,14,17,23-hexone;6-[1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl]-11,20,21,25-tetrahydroxy-3,15-bis(1-hydroxyethyl)-18,26-dimethyl-1,4,7,13,16,22-hexazatricyclo[22.3.0.09,13]heptacosane-2,5,8,14,17,23-hexone;11,20,21,25-tetrahydroxy-3,15-bis(1-hydroxyethyl)-6-[1-hydroxy-2-(4-hydroxyphenyl)ethyl]-18,26-dimethyl-1,4,7,13,16,22-hexazatricyclo[22.3.0.09,13]heptacosane-2,5,8,14,17,23-hexone is sourced from PubChem (CID 161084263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).