(4aS,5aR,12aR)-4,7-bis(dimethylamino)-1,10,11,12a-tetrahydroxy-3,12-dioxo-9-(oxomethyl)-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;yttrium

C24H26N3O8Y- — CID 89048022

About (4aS,5aR,12aR)-4,7-bis(dimethylamino)-1,10,11,12a-tetrahydroxy-3,12-dioxo-9-(oxomethyl)-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;yttrium

(4aS,5aR,12aR)-4,7-bis(dimethylamino)-1,10,11,12a-tetrahydroxy-3,12-dioxo-9-(oxomethyl)-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;yttrium (PubChem CID 89048022) has the molecular formula C24H26N3O8Y- and a molecular weight of 573.39 g/mol. Its IUPAC name is (4aS,5aR,12aR)-4,7-bis(dimethylamino)-1,10,11,12a-tetrahydroxy-3,12-dioxo-9-(oxomethyl)-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;yttrium.

Molecular Properties

• Compound Name: (4aS,5aR,12aR)-4,7-bis(dimethylamino)-1,10,11,12a-tetrahydroxy-3,12-dioxo-9-(oxomethyl)-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;yttrium
• PubChem CID: 89048022
• Molecular Formula: C24H26N3O8Y-
• Molecular Weight: 573.39 g/mol
• Exact Mass: 573.08
• IUPAC Name: (4aS,5aR,12aR)-4,7-bis(dimethylamino)-1,10,11,12a-tetrahydroxy-3,12-dioxo-9-(oxomethyl)-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;yttrium
• SMILES: CN(C)c1cc([C-]=O)c(O)c2c1C[C@H]1C[C@H]3C(N(C)C)C(=O)C(C(N)=O)=C(O)[C@@]3(O)C(=O)C1=C2O.[Y]
• InChI: InChI=1S/C24H26N3O8.Y/c1-26(2)13-7-10(8-28)18(29)15-11(13)5-9-6-12-17(27(3)4)20(31)16(23(25)34)22(33)24(12,35)21(32)14(9)19(15)30;/h7,9,12,17,29-30,33,35H,5-6H2,1-4H3,(H2,25,34);/q-1;/t9-,12-,17?,24-;/m0./s1
• InChIKey: AYWDGEUPFYPOLX-VDGLWBGOSA-N
• XLogP: -0.51
• TPSA: 181.70 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 10
• Rotatable Bonds: 4
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	573.39
LogP ≤ 5	-0.51
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (4aS,5aR,12aR)-4,7-bis(dimethylamino)-1,10,11,12a-tetrahydroxy-3,12-dioxo-9-(oxomethyl)-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;yttrium?

The IUPAC name of (4aS,5aR,12aR)-4,7-bis(dimethylamino)-1,10,11,12a-tetrahydroxy-3,12-dioxo-9-(oxomethyl)-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;yttrium (CID 89048022) is (4aS,5aR,12aR)-4,7-bis(dimethylamino)-1,10,11,12a-tetrahydroxy-3,12-dioxo-9-(oxomethyl)-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;yttrium.

What is the SMILES notation for (4aS,5aR,12aR)-4,7-bis(dimethylamino)-1,10,11,12a-tetrahydroxy-3,12-dioxo-9-(oxomethyl)-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;yttrium?

The canonical SMILES for (4aS,5aR,12aR)-4,7-bis(dimethylamino)-1,10,11,12a-tetrahydroxy-3,12-dioxo-9-(oxomethyl)-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;yttrium is CN(C)c1cc([C-]=O)c(O)c2c1C[C@H]1C[C@H]3C(N(C)C)C(=O)C(C(N)=O)=C(O)[C@@]3(O)C(=O)C1=C2O.[Y].

What is the InChIKey of (4aS,5aR,12aR)-4,7-bis(dimethylamino)-1,10,11,12a-tetrahydroxy-3,12-dioxo-9-(oxomethyl)-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;yttrium?

The InChIKey is AYWDGEUPFYPOLX-VDGLWBGOSA-N. The full InChI is InChI=1S/C24H26N3O8.Y/c1-26(2)13-7-10(8-28)18(29)15-11(13)5-9-6-12-17(27(3)4)20(31)16(23(25)34)22(33)24(12,35)21(32)14(9)19(15)30;/h7,9,12,17,29-30,33,35H,5-6H2,1-4H3,(H2,25,34);/q-1;/t9-,12-,17?,24-;/m0./s1.

What are the key properties of (4aS,5aR,12aR)-4,7-bis(dimethylamino)-1,10,11,12a-tetrahydroxy-3,12-dioxo-9-(oxomethyl)-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;yttrium?

(4aS,5aR,12aR)-4,7-bis(dimethylamino)-1,10,11,12a-tetrahydroxy-3,12-dioxo-9-(oxomethyl)-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;yttrium has a molecular weight of 573.39 g/mol, XLogP of -0.51, 4 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for (4aS,5aR,12aR)-4,7-bis(dimethylamino)-1,10,11,12a-tetrahydroxy-3,12-dioxo-9-(oxomethyl)-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;yttrium is sourced from PubChem (CID 89048022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).