potassium;(4S,4aS,5aR,12aR)-4,7-bis(dimethylamino)-1,10,11,12a-tetrahydroxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;(4S,4aS,5aR,12aR)-4,7-bis(dimethylamino)-1,11,12a-trihydroxy-10-methoxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;[(1S,4aR,11aR,12aS)-3-carbamoyl-10-(dimethylamino)-4,4a,6-trihydroxy-7-methoxy-2,5-dioxo-11,11a,12,12a-tetrahydro-1H-tetracen-1-yl]-trimethylazanium;(4aS,5aR,12aR)-7-(dimethylamino)-1,11,12a-trihydroxy-10-methoxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;2-methylpropan-2-olate

C98H121KN11O29+ — CID 159100555

About potassium;(4S,4aS,5aR,12aR)-4,7-bis(dimethylamino)-1,10,11,12a-tetrahydroxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;(4S,4aS,5aR,12aR)-4,7-bis(dimethylamino)-1,11,12a-trihydroxy-10-methoxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;[(1S,4aR,11aR,12aS)-3-carbamoyl-10-(dimethylamino)-4,4a,6-trihydroxy-7-methoxy-2,5-dioxo-11,11a,12,12a-tetrahydro-1H-tetracen-1-yl]-trimethylazanium;(4aS,5aR,12aR)-7-(dimethylamino)-1,11,12a-trihydroxy-10-methoxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;2-methylpropan-2-olate

potassium;(4S,4aS,5aR,12aR)-4,7-bis(dimethylamino)-1,10,11,12a-tetrahydroxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;(4S,4aS,5aR,12aR)-4,7-bis(dimethylamino)-1,11,12a-trihydroxy-10-methoxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;[(1S,4aR,11aR,12aS)-3-carbamoyl-10-(dimethylamino)-4,4a,6-trihydroxy-7-methoxy-2,5-dioxo-11,11a,12,12a-tetrahydro-1H-tetracen-1-yl]-trimethylazanium;(4aS,5aR,12aR)-7-(dimethylamino)-1,11,12a-trihydroxy-10-methoxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;2-methylpropan-2-olate (PubChem CID 159100555) has the molecular formula C98H121KN11O29+ and a molecular weight of 1956.19 g/mol. Its IUPAC name is potassium;(4S,4aS,5aR,12aR)-4,7-bis(dimethylamino)-1,10,11,12a-tetrahydroxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;(4S,4aS,5aR,12aR)-4,7-bis(dimethylamino)-1,11,12a-trihydroxy-10-methoxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;[(1S,4aR,11aR,12aS)-3-carbamoyl-10-(dimethylamino)-4,4a,6-trihydroxy-7-methoxy-2,5-dioxo-11,11a,12,12a-tetrahydro-1H-tetracen-1-yl]-trimethylazanium;(4aS,5aR,12aR)-7-(dimethylamino)-1,11,12a-trihydroxy-10-methoxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;2-methylpropan-2-olate.

Molecular Properties

• Compound Name: potassium;(4S,4aS,5aR,12aR)-4,7-bis(dimethylamino)-1,10,11,12a-tetrahydroxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;(4S,4aS,5aR,12aR)-4,7-bis(dimethylamino)-1,11,12a-trihydroxy-10-methoxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;[(1S,4aR,11aR,12aS)-3-carbamoyl-10-(dimethylamino)-4,4a,6-trihydroxy-7-methoxy-2,5-dioxo-11,11a,12,12a-tetrahydro-1H-tetracen-1-yl]-trimethylazanium;(4aS,5aR,12aR)-7-(dimethylamino)-1,11,12a-trihydroxy-10-methoxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;2-methylpropan-2-olate
• PubChem CID: 159100555
• Molecular Formula: C98H121KN11O29+
• Molecular Weight: 1956.19 g/mol
• Exact Mass: 1954.80
• IUPAC Name: potassium;(4S,4aS,5aR,12aR)-4,7-bis(dimethylamino)-1,10,11,12a-tetrahydroxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;(4S,4aS,5aR,12aR)-4,7-bis(dimethylamino)-1,11,12a-trihydroxy-10-methoxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;[(1S,4aR,11aR,12aS)-3-carbamoyl-10-(dimethylamino)-4,4a,6-trihydroxy-7-methoxy-2,5-dioxo-11,11a,12,12a-tetrahydro-1H-tetracen-1-yl]-trimethylazanium;(4aS,5aR,12aR)-7-(dimethylamino)-1,11,12a-trihydroxy-10-methoxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;2-methylpropan-2-olate
• SMILES: CC(C)(C)[O-].CN(C)c1ccc(O)c2c1C[C@H]1C[C@H]3[C@H](N(C)C)C(=O)C(C(N)=O)=C(O)[C@@]3(O)C(=O)C1=C2O.COc1ccc(N(C)C)c2c1C(O)=C1C(=O)[C@]3(O)C(O)=C(C(N)=O)C(=O)C[C@@H]3C[C@@H]1C2.COc1ccc(N(C)C)c2c1C(O)=C1C(=O)[C@]3(O)C(O)=C(C(N)=O)C(=O)[C@@H](N(C)C)[C@@H]3C[C@@H]1C2.COc1ccc(N(C)C)c2c1C(O)=C1C(=O)[C@]3(O)C(O)=C(C(N)=O)C(=O)[C@@H]([N+](C)(C)C)[C@@H]3C[C@@H]1C2.[K+]
• InChI: InChI=1S/C25H31N3O7.C24H29N3O7.C23H27N3O7.C22H24N2O7.C4H9O.K/c1-27(2)14-7-8-15(35-6)17-12(14)9-11-10-13-19(28(3,4)5)21(30)18(24(26)33)23(32)25(13,34)22(31)16(11)20(17)29;1-26(2)13-6-7-14(34-5)16-11(13)8-10-9-12-18(27(3)4)20(29)17(23(25)32)22(31)24(12,33)21(30)15(10)19(16)28;1-25(2)12-5-6-13(27)15-10(12)7-9-8-11-17(26(3)4)19(29)16(22(24)32)21(31)23(11,33)20(30)14(9)18(15)28;1-24(2)12-4-5-14(31-3)16-11(12)7-9-6-10-8-13(25)17(21(23)29)20(28)22(10,30)19(27)15(9)18(16)26;1-4(2,3)5;/h7-8,11,13,19,34H,9-10H2,1-6H3,(H3-,26,29,30,31,32,33);6-7,10,12,18,28,31,33H,8-9H2,1-5H3,(H2,25,32);5-6,9,11,17,27-28,31,33H,7-8H2,1-4H3,(H2,24,32);4-5,9-10,26,28,30H,6-8H2,1-3H3,(H2,23,29);1-3H3;/q;;;;-1;+1/p+1/t11-,13-,19-,25-;10-,12-,18-,24-;9-,11-,17-,23-;9-,10+,22+;;/m0001../s1
• InChIKey: LLYJLQPYBRSFRZ-ODABRGMFSA-O
• XLogP: -1.22
• TPSA: 642.10 Ų
• H-Bond Donors: 17
• H-Bond Acceptors: 35
• Rotatable Bonds: 14
• Heavy Atoms: 139
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1956.19
LogP ≤ 5	-1.22
H-Bond Donors ≤ 5	17
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of potassium;(4S,4aS,5aR,12aR)-4,7-bis(dimethylamino)-1,10,11,12a-tetrahydroxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;(4S,4aS,5aR,12aR)-4,7-bis(dimethylamino)-1,11,12a-trihydroxy-10-methoxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;[(1S,4aR,11aR,12aS)-3-carbamoyl-10-(dimethylamino)-4,4a,6-trihydroxy-7-methoxy-2,5-dioxo-11,11a,12,12a-tetrahydro-1H-tetracen-1-yl]-trimethylazanium;(4aS,5aR,12aR)-7-(dimethylamino)-1,11,12a-trihydroxy-10-methoxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;2-methylpropan-2-olate?

The IUPAC name of potassium;(4S,4aS,5aR,12aR)-4,7-bis(dimethylamino)-1,10,11,12a-tetrahydroxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;(4S,4aS,5aR,12aR)-4,7-bis(dimethylamino)-1,11,12a-trihydroxy-10-methoxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;[(1S,4aR,11aR,12aS)-3-carbamoyl-10-(dimethylamino)-4,4a,6-trihydroxy-7-methoxy-2,5-dioxo-11,11a,12,12a-tetrahydro-1H-tetracen-1-yl]-trimethylazanium;(4aS,5aR,12aR)-7-(dimethylamino)-1,11,12a-trihydroxy-10-methoxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;2-methylpropan-2-olate (CID 159100555) is potassium;(4S,4aS,5aR,12aR)-4,7-bis(dimethylamino)-1,10,11,12a-tetrahydroxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;(4S,4aS,5aR,12aR)-4,7-bis(dimethylamino)-1,11,12a-trihydroxy-10-methoxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;[(1S,4aR,11aR,12aS)-3-carbamoyl-10-(dimethylamino)-4,4a,6-trihydroxy-7-methoxy-2,5-dioxo-11,11a,12,12a-tetrahydro-1H-tetracen-1-yl]-trimethylazanium;(4aS,5aR,12aR)-7-(dimethylamino)-1,11,12a-trihydroxy-10-methoxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;2-methylpropan-2-olate.

What is the SMILES notation for potassium;(4S,4aS,5aR,12aR)-4,7-bis(dimethylamino)-1,10,11,12a-tetrahydroxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;(4S,4aS,5aR,12aR)-4,7-bis(dimethylamino)-1,11,12a-trihydroxy-10-methoxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;[(1S,4aR,11aR,12aS)-3-carbamoyl-10-(dimethylamino)-4,4a,6-trihydroxy-7-methoxy-2,5-dioxo-11,11a,12,12a-tetrahydro-1H-tetracen-1-yl]-trimethylazanium;(4aS,5aR,12aR)-7-(dimethylamino)-1,11,12a-trihydroxy-10-methoxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;2-methylpropan-2-olate?

The canonical SMILES for potassium;(4S,4aS,5aR,12aR)-4,7-bis(dimethylamino)-1,10,11,12a-tetrahydroxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;(4S,4aS,5aR,12aR)-4,7-bis(dimethylamino)-1,11,12a-trihydroxy-10-methoxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;[(1S,4aR,11aR,12aS)-3-carbamoyl-10-(dimethylamino)-4,4a,6-trihydroxy-7-methoxy-2,5-dioxo-11,11a,12,12a-tetrahydro-1H-tetracen-1-yl]-trimethylazanium;(4aS,5aR,12aR)-7-(dimethylamino)-1,11,12a-trihydroxy-10-methoxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;2-methylpropan-2-olate is CC(C)(C)[O-].CN(C)c1ccc(O)c2c1C[C@H]1C[C@H]3[C@H](N(C)C)C(=O)C(C(N)=O)=C(O)[C@@]3(O)C(=O)C1=C2O.COc1ccc(N(C)C)c2c1C(O)=C1C(=O)[C@]3(O)C(O)=C(C(N)=O)C(=O)C[C@@H]3C[C@@H]1C2.COc1ccc(N(C)C)c2c1C(O)=C1C(=O)[C@]3(O)C(O)=C(C(N)=O)C(=O)[C@@H](N(C)C)[C@@H]3C[C@@H]1C2.COc1ccc(N(C)C)c2c1C(O)=C1C(=O)[C@]3(O)C(O)=C(C(N)=O)C(=O)[C@@H]([N+](C)(C)C)[C@@H]3C[C@@H]1C2.[K+].

What is the InChIKey of potassium;(4S,4aS,5aR,12aR)-4,7-bis(dimethylamino)-1,10,11,12a-tetrahydroxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;(4S,4aS,5aR,12aR)-4,7-bis(dimethylamino)-1,11,12a-trihydroxy-10-methoxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;[(1S,4aR,11aR,12aS)-3-carbamoyl-10-(dimethylamino)-4,4a,6-trihydroxy-7-methoxy-2,5-dioxo-11,11a,12,12a-tetrahydro-1H-tetracen-1-yl]-trimethylazanium;(4aS,5aR,12aR)-7-(dimethylamino)-1,11,12a-trihydroxy-10-methoxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;2-methylpropan-2-olate?

The InChIKey is LLYJLQPYBRSFRZ-ODABRGMFSA-O. The full InChI is InChI=1S/C25H31N3O7.C24H29N3O7.C23H27N3O7.C22H24N2O7.C4H9O.K/c1-27(2)14-7-8-15(35-6)17-12(14)9-11-10-13-19(28(3,4)5)21(30)18(24(26)33)23(32)25(13,34)22(31)16(11)20(17)29;1-26(2)13-6-7-14(34-5)16-11(13)8-10-9-12-18(27(3)4)20(29)17(23(25)32)22(31)24(12,33)21(30)15(10)19(16)28;1-25(2)12-5-6-13(27)15-10(12)7-9-8-11-17(26(3)4)19(29)16(22(24)32)21(31)23(11,33)20(30)14(9)18(15)28;1-24(2)12-4-5-14(31-3)16-11(12)7-9-6-10-8-13(25)17(21(23)29)20(28)22(10,30)19(27)15(9)18(16)26;1-4(2,3)5;/h7-8,11,13,19,34H,9-10H2,1-6H3,(H3-,26,29,30,31,32,33);6-7,10,12,18,28,31,33H,8-9H2,1-5H3,(H2,25,32);5-6,9,11,17,27-28,31,33H,7-8H2,1-4H3,(H2,24,32);4-5,9-10,26,28,30H,6-8H2,1-3H3,(H2,23,29);1-3H3;/q;;;;-1;+1/p+1/t11-,13-,19-,25-;10-,12-,18-,24-;9-,11-,17-,23-;9-,10+,22+;;/m0001../s1.

What are the key properties of potassium;(4S,4aS,5aR,12aR)-4,7-bis(dimethylamino)-1,10,11,12a-tetrahydroxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;(4S,4aS,5aR,12aR)-4,7-bis(dimethylamino)-1,11,12a-trihydroxy-10-methoxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;[(1S,4aR,11aR,12aS)-3-carbamoyl-10-(dimethylamino)-4,4a,6-trihydroxy-7-methoxy-2,5-dioxo-11,11a,12,12a-tetrahydro-1H-tetracen-1-yl]-trimethylazanium;(4aS,5aR,12aR)-7-(dimethylamino)-1,11,12a-trihydroxy-10-methoxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;2-methylpropan-2-olate?

potassium;(4S,4aS,5aR,12aR)-4,7-bis(dimethylamino)-1,10,11,12a-tetrahydroxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;(4S,4aS,5aR,12aR)-4,7-bis(dimethylamino)-1,11,12a-trihydroxy-10-methoxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;[(1S,4aR,11aR,12aS)-3-carbamoyl-10-(dimethylamino)-4,4a,6-trihydroxy-7-methoxy-2,5-dioxo-11,11a,12,12a-tetrahydro-1H-tetracen-1-yl]-trimethylazanium;(4aS,5aR,12aR)-7-(dimethylamino)-1,11,12a-trihydroxy-10-methoxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;2-methylpropan-2-olate has a molecular weight of 1956.19 g/mol, XLogP of -1.22, 14 rotatable bonds, 17 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for potassium;(4S,4aS,5aR,12aR)-4,7-bis(dimethylamino)-1,10,11,12a-tetrahydroxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;(4S,4aS,5aR,12aR)-4,7-bis(dimethylamino)-1,11,12a-trihydroxy-10-methoxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;[(1S,4aR,11aR,12aS)-3-carbamoyl-10-(dimethylamino)-4,4a,6-trihydroxy-7-methoxy-2,5-dioxo-11,11a,12,12a-tetrahydro-1H-tetracen-1-yl]-trimethylazanium;(4aS,5aR,12aR)-7-(dimethylamino)-1,11,12a-trihydroxy-10-methoxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;2-methylpropan-2-olate is sourced from PubChem (CID 159100555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).