disodium;2,2-bis(hydroxymethyl)propane-1,3-diol;bis(3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-[4-(2-oxopropoxy)phenyl]propanamide);2,2-diethylbutyl 2-[4-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoylamino]phenoxy]acetate;2,2,3,3,4,4-hexakis(hydroxymethyl)pentane-1,5-diol;[5-hydroxy-2,2,3,3,4,4-hexakis(hydroxymethyl)pentyl] 2-[4-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoylamino]phenoxy]acetate;bis(methyl 2-[4-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoylamino]phenoxy]acetate);diacetate

C193H286N6Na2O51 — CID 159707464

About disodium;2,2-bis(hydroxymethyl)propane-1,3-diol;bis(3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-[4-(2-oxopropoxy)phenyl]propanamide);2,2-diethylbutyl 2-[4-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoylamino]phenoxy]acetate;2,2,3,3,4,4-hexakis(hydroxymethyl)pentane-1,5-diol;[5-hydroxy-2,2,3,3,4,4-hexakis(hydroxymethyl)pentyl] 2-[4-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoylamino]phenoxy]acetate;bis(methyl 2-[4-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoylamino]phenoxy]acetate);diacetate

disodium;2,2-bis(hydroxymethyl)propane-1,3-diol;bis(3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-[4-(2-oxopropoxy)phenyl]propanamide);2,2-diethylbutyl 2-[4-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoylamino]phenoxy]acetate;2,2,3,3,4,4-hexakis(hydroxymethyl)pentane-1,5-diol;[5-hydroxy-2,2,3,3,4,4-hexakis(hydroxymethyl)pentyl] 2-[4-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoylamino]phenoxy]acetate;bis(methyl 2-[4-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoylamino]phenoxy]acetate);diacetate (PubChem CID 159707464) has the molecular formula C193H286N6Na2O51 and a molecular weight of 3552.38 g/mol. Its IUPAC name is disodium;2,2-bis(hydroxymethyl)propane-1,3-diol;bis(3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-[4-(2-oxopropoxy)phenyl]propanamide);2,2-diethylbutyl 2-[4-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoylamino]phenoxy]acetate;2,2,3,3,4,4-hexakis(hydroxymethyl)pentane-1,5-diol;[5-hydroxy-2,2,3,3,4,4-hexakis(hydroxymethyl)pentyl] 2-[4-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoylamino]phenoxy]acetate;bis(methyl 2-[4-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoylamino]phenoxy]acetate);diacetate.

Molecular Properties

• Compound Name: disodium;2,2-bis(hydroxymethyl)propane-1,3-diol;bis(3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-[4-(2-oxopropoxy)phenyl]propanamide);2,2-diethylbutyl 2-[4-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoylamino]phenoxy]acetate;2,2,3,3,4,4-hexakis(hydroxymethyl)pentane-1,5-diol;[5-hydroxy-2,2,3,3,4,4-hexakis(hydroxymethyl)pentyl] 2-[4-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoylamino]phenoxy]acetate;bis(methyl 2-[4-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoylamino]phenoxy]acetate);diacetate
• PubChem CID: 159707464
• Molecular Formula: C193H286N6Na2O51
• Molecular Weight: 3552.38 g/mol
• Exact Mass: 3549.98
• IUPAC Name: disodium;2,2-bis(hydroxymethyl)propane-1,3-diol;bis(3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-[4-(2-oxopropoxy)phenyl]propanamide);2,2-diethylbutyl 2-[4-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoylamino]phenoxy]acetate;2,2,3,3,4,4-hexakis(hydroxymethyl)pentane-1,5-diol;[5-hydroxy-2,2,3,3,4,4-hexakis(hydroxymethyl)pentyl] 2-[4-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoylamino]phenoxy]acetate;bis(methyl 2-[4-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoylamino]phenoxy]acetate);diacetate
• SMILES: CC(=O)COc1ccc(NC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc1.CC(=O)COc1ccc(NC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc1.CC(=O)[O-].CC(=O)[O-].CC(C)(C)c1cc(CCC(=O)Nc2ccc(OCC(=O)OCC(CO)(CO)C(CO)(CO)C(CO)(CO)CO)cc2)cc(C(C)(C)C)c1O.CCC(CC)(CC)COC(=O)COc1ccc(NC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc1.COC(=O)COc1ccc(NC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc1.COC(=O)COc1ccc(NC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc1.OCC(CO)(CO)C(CO)(CO)C(CO)(CO)CO.OCC(CO)(CO)CO.[Na+].[Na+]
• InChI: InChI=1S/C36H55NO12.C33H49NO5.2C26H35NO5.2C26H35NO4.C11H24O8.C5H12O4.2C2H4O2.2Na/c1-32(2,3)27-13-24(14-28(31(27)47)33(4,5)6)7-12-29(45)37-25-8-10-26(11-9-25)48-15-30(46)49-23-35(19-41,20-42)36(21-43,22-44)34(16-38,17-39)18-40;1-10-33(11-2,12-3)22-39-29(36)21-38-25-16-14-24(15-17-25)34-28(35)18-13-23-19-26(31(4,5)6)30(37)27(20-23)32(7,8)9;2*1-25(2,3)20-14-17(15-21(24(20)30)26(4,5)6)8-13-22(28)27-18-9-11-19(12-10-18)32-16-23(29)31-7;2*1-17(28)16-31-20-11-9-19(10-12-20)27-23(29)13-8-18-14-21(25(2,3)4)24(30)22(15-18)26(5,6)7;12-1-9(2-13,3-14)11(7-18,8-19)10(4-15,5-16)6-17;6-1-5(2-7,3-8)4-9;2*1-2(3)4;;/h8-11,13-14,38-44,47H,7,12,15-23H2,1-6H3,(H,37,45);14-17,19-20,37H,10-13,18,21-22H2,1-9H3,(H,34,35);2*9-12,14-15,30H,8,13,16H2,1-7H3,(H,27,28);2*9-12,14-15,30H,8,13,16H2,1-7H3,(H,27,29);12-19H,1-8H2;6-9H,1-4H2;2*1H3,(H,3,4);;/q;;;;;;;;;;2*+1/p-2
• InChIKey: MYKCCZYQWIRFOZ-UHFFFAOYSA-L
• XLogP: 15.70
• TPSA: 955.33 Ų
• H-Bond Donors: 31
• H-Bond Acceptors: 51
• Rotatable Bonds: 72
• Heavy Atoms: 252
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3552.38
LogP ≤ 5	15.70
H-Bond Donors ≤ 5	31
H-Bond Acceptors ≤ 10	51

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of disodium;2,2-bis(hydroxymethyl)propane-1,3-diol;bis(3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-[4-(2-oxopropoxy)phenyl]propanamide);2,2-diethylbutyl 2-[4-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoylamino]phenoxy]acetate;2,2,3,3,4,4-hexakis(hydroxymethyl)pentane-1,5-diol;[5-hydroxy-2,2,3,3,4,4-hexakis(hydroxymethyl)pentyl] 2-[4-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoylamino]phenoxy]acetate;bis(methyl 2-[4-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoylamino]phenoxy]acetate);diacetate?

The IUPAC name of disodium;2,2-bis(hydroxymethyl)propane-1,3-diol;bis(3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-[4-(2-oxopropoxy)phenyl]propanamide);2,2-diethylbutyl 2-[4-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoylamino]phenoxy]acetate;2,2,3,3,4,4-hexakis(hydroxymethyl)pentane-1,5-diol;[5-hydroxy-2,2,3,3,4,4-hexakis(hydroxymethyl)pentyl] 2-[4-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoylamino]phenoxy]acetate;bis(methyl 2-[4-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoylamino]phenoxy]acetate);diacetate (CID 159707464) is disodium;2,2-bis(hydroxymethyl)propane-1,3-diol;bis(3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-[4-(2-oxopropoxy)phenyl]propanamide);2,2-diethylbutyl 2-[4-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoylamino]phenoxy]acetate;2,2,3,3,4,4-hexakis(hydroxymethyl)pentane-1,5-diol;[5-hydroxy-2,2,3,3,4,4-hexakis(hydroxymethyl)pentyl] 2-[4-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoylamino]phenoxy]acetate;bis(methyl 2-[4-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoylamino]phenoxy]acetate);diacetate.

What is the SMILES notation for disodium;2,2-bis(hydroxymethyl)propane-1,3-diol;bis(3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-[4-(2-oxopropoxy)phenyl]propanamide);2,2-diethylbutyl 2-[4-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoylamino]phenoxy]acetate;2,2,3,3,4,4-hexakis(hydroxymethyl)pentane-1,5-diol;[5-hydroxy-2,2,3,3,4,4-hexakis(hydroxymethyl)pentyl] 2-[4-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoylamino]phenoxy]acetate;bis(methyl 2-[4-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoylamino]phenoxy]acetate);diacetate?

The canonical SMILES for disodium;2,2-bis(hydroxymethyl)propane-1,3-diol;bis(3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-[4-(2-oxopropoxy)phenyl]propanamide);2,2-diethylbutyl 2-[4-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoylamino]phenoxy]acetate;2,2,3,3,4,4-hexakis(hydroxymethyl)pentane-1,5-diol;[5-hydroxy-2,2,3,3,4,4-hexakis(hydroxymethyl)pentyl] 2-[4-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoylamino]phenoxy]acetate;bis(methyl 2-[4-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoylamino]phenoxy]acetate);diacetate is CC(=O)COc1ccc(NC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc1.CC(=O)COc1ccc(NC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc1.CC(=O)[O-].CC(=O)[O-].CC(C)(C)c1cc(CCC(=O)Nc2ccc(OCC(=O)OCC(CO)(CO)C(CO)(CO)C(CO)(CO)CO)cc2)cc(C(C)(C)C)c1O.CCC(CC)(CC)COC(=O)COc1ccc(NC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc1.COC(=O)COc1ccc(NC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc1.COC(=O)COc1ccc(NC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc1.OCC(CO)(CO)C(CO)(CO)C(CO)(CO)CO.OCC(CO)(CO)CO.[Na+].[Na+].

What is the InChIKey of disodium;2,2-bis(hydroxymethyl)propane-1,3-diol;bis(3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-[4-(2-oxopropoxy)phenyl]propanamide);2,2-diethylbutyl 2-[4-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoylamino]phenoxy]acetate;2,2,3,3,4,4-hexakis(hydroxymethyl)pentane-1,5-diol;[5-hydroxy-2,2,3,3,4,4-hexakis(hydroxymethyl)pentyl] 2-[4-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoylamino]phenoxy]acetate;bis(methyl 2-[4-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoylamino]phenoxy]acetate);diacetate?

The InChIKey is MYKCCZYQWIRFOZ-UHFFFAOYSA-L. The full InChI is InChI=1S/C36H55NO12.C33H49NO5.2C26H35NO5.2C26H35NO4.C11H24O8.C5H12O4.2C2H4O2.2Na/c1-32(2,3)27-13-24(14-28(31(27)47)33(4,5)6)7-12-29(45)37-25-8-10-26(11-9-25)48-15-30(46)49-23-35(19-41,20-42)36(21-43,22-44)34(16-38,17-39)18-40;1-10-33(11-2,12-3)22-39-29(36)21-38-25-16-14-24(15-17-25)34-28(35)18-13-23-19-26(31(4,5)6)30(37)27(20-23)32(7,8)9;2*1-25(2,3)20-14-17(15-21(24(20)30)26(4,5)6)8-13-22(28)27-18-9-11-19(12-10-18)32-16-23(29)31-7;2*1-17(28)16-31-20-11-9-19(10-12-20)27-23(29)13-8-18-14-21(25(2,3)4)24(30)22(15-18)26(5,6)7;12-1-9(2-13,3-14)11(7-18,8-19)10(4-15,5-16)6-17;6-1-5(2-7,3-8)4-9;2*1-2(3)4;;/h8-11,13-14,38-44,47H,7,12,15-23H2,1-6H3,(H,37,45);14-17,19-20,37H,10-13,18,21-22H2,1-9H3,(H,34,35);2*9-12,14-15,30H,8,13,16H2,1-7H3,(H,27,28);2*9-12,14-15,30H,8,13,16H2,1-7H3,(H,27,29);12-19H,1-8H2;6-9H,1-4H2;2*1H3,(H,3,4);;/q;;;;;;;;;;2*+1/p-2.

What are the key properties of disodium;2,2-bis(hydroxymethyl)propane-1,3-diol;bis(3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-[4-(2-oxopropoxy)phenyl]propanamide);2,2-diethylbutyl 2-[4-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoylamino]phenoxy]acetate;2,2,3,3,4,4-hexakis(hydroxymethyl)pentane-1,5-diol;[5-hydroxy-2,2,3,3,4,4-hexakis(hydroxymethyl)pentyl] 2-[4-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoylamino]phenoxy]acetate;bis(methyl 2-[4-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoylamino]phenoxy]acetate);diacetate?

disodium;2,2-bis(hydroxymethyl)propane-1,3-diol;bis(3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-[4-(2-oxopropoxy)phenyl]propanamide);2,2-diethylbutyl 2-[4-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoylamino]phenoxy]acetate;2,2,3,3,4,4-hexakis(hydroxymethyl)pentane-1,5-diol;[5-hydroxy-2,2,3,3,4,4-hexakis(hydroxymethyl)pentyl] 2-[4-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoylamino]phenoxy]acetate;bis(methyl 2-[4-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoylamino]phenoxy]acetate);diacetate has a molecular weight of 3552.38 g/mol, XLogP of 15.70, 72 rotatable bonds, 31 hydrogen bond donors, and 51 hydrogen bond acceptors.

Where does this data come from?

All data for disodium;2,2-bis(hydroxymethyl)propane-1,3-diol;bis(3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-[4-(2-oxopropoxy)phenyl]propanamide);2,2-diethylbutyl 2-[4-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoylamino]phenoxy]acetate;2,2,3,3,4,4-hexakis(hydroxymethyl)pentane-1,5-diol;[5-hydroxy-2,2,3,3,4,4-hexakis(hydroxymethyl)pentyl] 2-[4-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoylamino]phenoxy]acetate;bis(methyl 2-[4-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoylamino]phenoxy]acetate);diacetate is sourced from PubChem (CID 159707464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).