sodium;tert-butyl (3aR,7R,7aS)-7-carbazol-9-yl-2-oxo-4,6,7,7a-tetrahydro-3aH-[1,3,2]dioxathiolo[4,5-c]pyridine-5-carboxylate;tert-butyl (3S,4S,5R)-3-azido-5-carbazol-9-yl-4-hydroxypiperidine-1-carboxylate;tert-butyl (3R,4S,5R)-3-carbazol-9-yl-4,5-dihydroxypiperidine-1-carboxylate;thionyl dichloride;azide

C66H75Cl2N12NaO13S2 — CID 158009230

About sodium;tert-butyl (3aR,7R,7aS)-7-carbazol-9-yl-2-oxo-4,6,7,7a-tetrahydro-3aH-[1,3,2]dioxathiolo[4,5-c]pyridine-5-carboxylate;tert-butyl (3S,4S,5R)-3-azido-5-carbazol-9-yl-4-hydroxypiperidine-1-carboxylate;tert-butyl (3R,4S,5R)-3-carbazol-9-yl-4,5-dihydroxypiperidine-1-carboxylate;thionyl dichloride;azide

sodium;tert-butyl (3aR,7R,7aS)-7-carbazol-9-yl-2-oxo-4,6,7,7a-tetrahydro-3aH-[1,3,2]dioxathiolo[4,5-c]pyridine-5-carboxylate;tert-butyl (3S,4S,5R)-3-azido-5-carbazol-9-yl-4-hydroxypiperidine-1-carboxylate;tert-butyl (3R,4S,5R)-3-carbazol-9-yl-4,5-dihydroxypiperidine-1-carboxylate;thionyl dichloride;azide (PubChem CID 158009230) has the molecular formula C66H75Cl2N12NaO13S2 and a molecular weight of 1402.43 g/mol. Its IUPAC name is sodium;tert-butyl (3aR,7R,7aS)-7-carbazol-9-yl-2-oxo-4,6,7,7a-tetrahydro-3aH-[1,3,2]dioxathiolo[4,5-c]pyridine-5-carboxylate;tert-butyl (3S,4S,5R)-3-azido-5-carbazol-9-yl-4-hydroxypiperidine-1-carboxylate;tert-butyl (3R,4S,5R)-3-carbazol-9-yl-4,5-dihydroxypiperidine-1-carboxylate;thionyl dichloride;azide.

Molecular Properties

• Compound Name: sodium;tert-butyl (3aR,7R,7aS)-7-carbazol-9-yl-2-oxo-4,6,7,7a-tetrahydro-3aH-[1,3,2]dioxathiolo[4,5-c]pyridine-5-carboxylate;tert-butyl (3S,4S,5R)-3-azido-5-carbazol-9-yl-4-hydroxypiperidine-1-carboxylate;tert-butyl (3R,4S,5R)-3-carbazol-9-yl-4,5-dihydroxypiperidine-1-carboxylate;thionyl dichloride;azide
• PubChem CID: 158009230
• Molecular Formula: C66H75Cl2N12NaO13S2
• Molecular Weight: 1402.43 g/mol
• Exact Mass: 1400.43
• IUPAC Name: sodium;tert-butyl (3aR,7R,7aS)-7-carbazol-9-yl-2-oxo-4,6,7,7a-tetrahydro-3aH-[1,3,2]dioxathiolo[4,5-c]pyridine-5-carboxylate;tert-butyl (3S,4S,5R)-3-azido-5-carbazol-9-yl-4-hydroxypiperidine-1-carboxylate;tert-butyl (3R,4S,5R)-3-carbazol-9-yl-4,5-dihydroxypiperidine-1-carboxylate;thionyl dichloride;azide
• SMILES: CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](O)[C@H](n2c3ccccc3c3ccccc32)C1.CC(C)(C)OC(=O)N1C[C@@H](n2c3ccccc3c3ccccc32)[C@@H]2OS(=O)O[C@@H]2C1.CC(C)(C)OC(=O)N1C[C@H](N=[N+]=[N-])[C@@H](O)[C@H](n2c3ccccc3c3ccccc32)C1.O=S(Cl)Cl.[N-]=[N+]=[N-].[Na+]
• InChI: InChI=1S/C22H25N5O3.C22H24N2O5S.C22H26N2O4.Cl2OS.N3.Na/c1-22(2,3)30-21(29)26-12-16(24-25-23)20(28)19(13-26)27-17-10-6-4-8-14(17)15-9-5-7-11-18(15)27;1-22(2,3)27-21(25)23-12-18(20-19(13-23)28-30(26)29-20)24-16-10-6-4-8-14(16)15-9-5-7-11-17(15)24;1-22(2,3)28-21(27)23-12-18(20(26)19(25)13-23)24-16-10-6-4-8-14(16)15-9-5-7-11-17(15)24;1-4(2)3;1-3-2;/h4-11,16,19-20,28H,12-13H2,1-3H3;4-11,18-20H,12-13H2,1-3H3;4-11,18-20,25-26H,12-13H2,1-3H3;;;/q;;;;-1;+1/t16-,19+,20+;18-,19-,20+,30?;18-,19-,20+;;;/m011.../s1
• InChIKey: QHMJZAUUEDWAIF-DPEFGLOMSA-N
• XLogP: 10.80
• TPSA: 324.16 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 17
• Rotatable Bonds: 4
• Heavy Atoms: 96
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1402.43
LogP ≤ 5	10.80
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of sodium;tert-butyl (3aR,7R,7aS)-7-carbazol-9-yl-2-oxo-4,6,7,7a-tetrahydro-3aH-[1,3,2]dioxathiolo[4,5-c]pyridine-5-carboxylate;tert-butyl (3S,4S,5R)-3-azido-5-carbazol-9-yl-4-hydroxypiperidine-1-carboxylate;tert-butyl (3R,4S,5R)-3-carbazol-9-yl-4,5-dihydroxypiperidine-1-carboxylate;thionyl dichloride;azide?

The IUPAC name of sodium;tert-butyl (3aR,7R,7aS)-7-carbazol-9-yl-2-oxo-4,6,7,7a-tetrahydro-3aH-[1,3,2]dioxathiolo[4,5-c]pyridine-5-carboxylate;tert-butyl (3S,4S,5R)-3-azido-5-carbazol-9-yl-4-hydroxypiperidine-1-carboxylate;tert-butyl (3R,4S,5R)-3-carbazol-9-yl-4,5-dihydroxypiperidine-1-carboxylate;thionyl dichloride;azide (CID 158009230) is sodium;tert-butyl (3aR,7R,7aS)-7-carbazol-9-yl-2-oxo-4,6,7,7a-tetrahydro-3aH-[1,3,2]dioxathiolo[4,5-c]pyridine-5-carboxylate;tert-butyl (3S,4S,5R)-3-azido-5-carbazol-9-yl-4-hydroxypiperidine-1-carboxylate;tert-butyl (3R,4S,5R)-3-carbazol-9-yl-4,5-dihydroxypiperidine-1-carboxylate;thionyl dichloride;azide.

What is the SMILES notation for sodium;tert-butyl (3aR,7R,7aS)-7-carbazol-9-yl-2-oxo-4,6,7,7a-tetrahydro-3aH-[1,3,2]dioxathiolo[4,5-c]pyridine-5-carboxylate;tert-butyl (3S,4S,5R)-3-azido-5-carbazol-9-yl-4-hydroxypiperidine-1-carboxylate;tert-butyl (3R,4S,5R)-3-carbazol-9-yl-4,5-dihydroxypiperidine-1-carboxylate;thionyl dichloride;azide?

The canonical SMILES for sodium;tert-butyl (3aR,7R,7aS)-7-carbazol-9-yl-2-oxo-4,6,7,7a-tetrahydro-3aH-[1,3,2]dioxathiolo[4,5-c]pyridine-5-carboxylate;tert-butyl (3S,4S,5R)-3-azido-5-carbazol-9-yl-4-hydroxypiperidine-1-carboxylate;tert-butyl (3R,4S,5R)-3-carbazol-9-yl-4,5-dihydroxypiperidine-1-carboxylate;thionyl dichloride;azide is CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](O)[C@H](n2c3ccccc3c3ccccc32)C1.CC(C)(C)OC(=O)N1C[C@@H](n2c3ccccc3c3ccccc32)[C@@H]2OS(=O)O[C@@H]2C1.CC(C)(C)OC(=O)N1C[C@H](N=[N+]=[N-])[C@@H](O)[C@H](n2c3ccccc3c3ccccc32)C1.O=S(Cl)Cl.[N-]=[N+]=[N-].[Na+].

What is the InChIKey of sodium;tert-butyl (3aR,7R,7aS)-7-carbazol-9-yl-2-oxo-4,6,7,7a-tetrahydro-3aH-[1,3,2]dioxathiolo[4,5-c]pyridine-5-carboxylate;tert-butyl (3S,4S,5R)-3-azido-5-carbazol-9-yl-4-hydroxypiperidine-1-carboxylate;tert-butyl (3R,4S,5R)-3-carbazol-9-yl-4,5-dihydroxypiperidine-1-carboxylate;thionyl dichloride;azide?

The InChIKey is QHMJZAUUEDWAIF-DPEFGLOMSA-N. The full InChI is InChI=1S/C22H25N5O3.C22H24N2O5S.C22H26N2O4.Cl2OS.N3.Na/c1-22(2,3)30-21(29)26-12-16(24-25-23)20(28)19(13-26)27-17-10-6-4-8-14(17)15-9-5-7-11-18(15)27;1-22(2,3)27-21(25)23-12-18(20-19(13-23)28-30(26)29-20)24-16-10-6-4-8-14(16)15-9-5-7-11-17(15)24;1-22(2,3)28-21(27)23-12-18(20(26)19(25)13-23)24-16-10-6-4-8-14(16)15-9-5-7-11-17(15)24;1-4(2)3;1-3-2;/h4-11,16,19-20,28H,12-13H2,1-3H3;4-11,18-20H,12-13H2,1-3H3;4-11,18-20,25-26H,12-13H2,1-3H3;;;/q;;;;-1;+1/t16-,19+,20+;18-,19-,20+,30?;18-,19-,20+;;;/m011.../s1.

What are the key properties of sodium;tert-butyl (3aR,7R,7aS)-7-carbazol-9-yl-2-oxo-4,6,7,7a-tetrahydro-3aH-[1,3,2]dioxathiolo[4,5-c]pyridine-5-carboxylate;tert-butyl (3S,4S,5R)-3-azido-5-carbazol-9-yl-4-hydroxypiperidine-1-carboxylate;tert-butyl (3R,4S,5R)-3-carbazol-9-yl-4,5-dihydroxypiperidine-1-carboxylate;thionyl dichloride;azide?

sodium;tert-butyl (3aR,7R,7aS)-7-carbazol-9-yl-2-oxo-4,6,7,7a-tetrahydro-3aH-[1,3,2]dioxathiolo[4,5-c]pyridine-5-carboxylate;tert-butyl (3S,4S,5R)-3-azido-5-carbazol-9-yl-4-hydroxypiperidine-1-carboxylate;tert-butyl (3R,4S,5R)-3-carbazol-9-yl-4,5-dihydroxypiperidine-1-carboxylate;thionyl dichloride;azide has a molecular weight of 1402.43 g/mol, XLogP of 10.80, 4 rotatable bonds, 3 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;tert-butyl (3aR,7R,7aS)-7-carbazol-9-yl-2-oxo-4,6,7,7a-tetrahydro-3aH-[1,3,2]dioxathiolo[4,5-c]pyridine-5-carboxylate;tert-butyl (3S,4S,5R)-3-azido-5-carbazol-9-yl-4-hydroxypiperidine-1-carboxylate;tert-butyl (3R,4S,5R)-3-carbazol-9-yl-4,5-dihydroxypiperidine-1-carboxylate;thionyl dichloride;azide is sourced from PubChem (CID 158009230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).