(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;N-(hydroxyamino)-N-(methoxyamino)hydroxylamine

C24H34N6O10 — CID 175236701

About (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;N-(hydroxyamino)-N-(methoxyamino)hydroxylamine

(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;N-(hydroxyamino)-N-(methoxyamino)hydroxylamine (PubChem CID 175236701) has the molecular formula C24H34N6O10 and a molecular weight of 566.57 g/mol. Its IUPAC name is (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;N-(hydroxyamino)-N-(methoxyamino)hydroxylamine.

Molecular Properties

• Compound Name: (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;N-(hydroxyamino)-N-(methoxyamino)hydroxylamine
• PubChem CID: 175236701
• Molecular Formula: C24H34N6O10
• Molecular Weight: 566.57 g/mol
• Exact Mass: 566.23
• IUPAC Name: (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;N-(hydroxyamino)-N-(methoxyamino)hydroxylamine
• SMILES: 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.CONN(O)NO
• InChI: InChI=1S/C23H27N3O7.CH7N3O3/c1-25(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;1-7-3-4(6)2-5/h5-6,9,11,17,27-28,31,33H,7-8H2,1-4H3,(H2,24,32);2-3,5-6H,1H3/t9-,11-,17-,23-;/m0./s1
• InChIKey: XRPRCNUMYOHYCA-VQAITOIOSA-N
• XLogP: -1.33
• TPSA: 241.62 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 15
• Rotatable Bonds: 6
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	566.57
LogP ≤ 5	-1.33
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (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;N-(hydroxyamino)-N-(methoxyamino)hydroxylamine?

The IUPAC name of (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;N-(hydroxyamino)-N-(methoxyamino)hydroxylamine (CID 175236701) is (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;N-(hydroxyamino)-N-(methoxyamino)hydroxylamine.

What is the SMILES notation for (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;N-(hydroxyamino)-N-(methoxyamino)hydroxylamine?

The canonical SMILES for (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;N-(hydroxyamino)-N-(methoxyamino)hydroxylamine is 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.CONN(O)NO.

What is the InChIKey of (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;N-(hydroxyamino)-N-(methoxyamino)hydroxylamine?

The InChIKey is XRPRCNUMYOHYCA-VQAITOIOSA-N. The full InChI is InChI=1S/C23H27N3O7.CH7N3O3/c1-25(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;1-7-3-4(6)2-5/h5-6,9,11,17,27-28,31,33H,7-8H2,1-4H3,(H2,24,32);2-3,5-6H,1H3/t9-,11-,17-,23-;/m0./s1.

What are the key properties of (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;N-(hydroxyamino)-N-(methoxyamino)hydroxylamine?

(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;N-(hydroxyamino)-N-(methoxyamino)hydroxylamine has a molecular weight of 566.57 g/mol, XLogP of -1.33, 6 rotatable bonds, 9 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for (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;N-(hydroxyamino)-N-(methoxyamino)hydroxylamine is sourced from PubChem (CID 175236701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).