sodium;(3aS,7S,7aR)-7-carbazol-9-yl-4,6,7,7a-tetrahydro-3aH-[1,3,2]dioxathiolo[4,5-c]pyran 2-oxide;(3R,4R,5S)-3-azido-5-carbazol-9-yloxan-4-ol;(3S,4R,5S)-5-carbazol-9-yloxane-3,4-diol;thionyl dichloride;azide

C51H48Cl2N9NaO10S2 — CID 158335948

About sodium;(3aS,7S,7aR)-7-carbazol-9-yl-4,6,7,7a-tetrahydro-3aH-[1,3,2]dioxathiolo[4,5-c]pyran 2-oxide;(3R,4R,5S)-3-azido-5-carbazol-9-yloxan-4-ol;(3S,4R,5S)-5-carbazol-9-yloxane-3,4-diol;thionyl dichloride;azide

sodium;(3aS,7S,7aR)-7-carbazol-9-yl-4,6,7,7a-tetrahydro-3aH-[1,3,2]dioxathiolo[4,5-c]pyran 2-oxide;(3R,4R,5S)-3-azido-5-carbazol-9-yloxan-4-ol;(3S,4R,5S)-5-carbazol-9-yloxane-3,4-diol;thionyl dichloride;azide (PubChem CID 158335948) has the molecular formula C51H48Cl2N9NaO10S2 and a molecular weight of 1105.03 g/mol. Its IUPAC name is sodium;(3aS,7S,7aR)-7-carbazol-9-yl-4,6,7,7a-tetrahydro-3aH-[1,3,2]dioxathiolo[4,5-c]pyran 2-oxide;(3R,4R,5S)-3-azido-5-carbazol-9-yloxan-4-ol;(3S,4R,5S)-5-carbazol-9-yloxane-3,4-diol;thionyl dichloride;azide.

Molecular Properties

• Compound Name: sodium;(3aS,7S,7aR)-7-carbazol-9-yl-4,6,7,7a-tetrahydro-3aH-[1,3,2]dioxathiolo[4,5-c]pyran 2-oxide;(3R,4R,5S)-3-azido-5-carbazol-9-yloxan-4-ol;(3S,4R,5S)-5-carbazol-9-yloxane-3,4-diol;thionyl dichloride;azide
• PubChem CID: 158335948
• Molecular Formula: C51H48Cl2N9NaO10S2
• Molecular Weight: 1105.03 g/mol
• Exact Mass: 1103.22
• IUPAC Name: sodium;(3aS,7S,7aR)-7-carbazol-9-yl-4,6,7,7a-tetrahydro-3aH-[1,3,2]dioxathiolo[4,5-c]pyran 2-oxide;(3R,4R,5S)-3-azido-5-carbazol-9-yloxan-4-ol;(3S,4R,5S)-5-carbazol-9-yloxane-3,4-diol;thionyl dichloride;azide
• SMILES: O=S(Cl)Cl.O=S1O[C@H]2[C@H](COC[C@@H]2n2c3ccccc3c3ccccc32)O1.O[C@H]1[C@@H](O)COC[C@@H]1n1c2ccccc2c2ccccc21.[N-]=[N+]=N[C@@H]1COC[C@H](n2c3ccccc3c3ccccc32)[C@H]1O.[N-]=[N+]=[N-].[Na+]
• InChI: InChI=1S/C17H16N4O2.C17H15NO4S.C17H17NO3.Cl2OS.N3.Na/c18-20-19-13-9-23-10-16(17(13)22)21-14-7-3-1-5-11(14)12-6-2-4-8-15(12)21;19-23-21-16-10-20-9-15(17(16)22-23)18-13-7-3-1-5-11(13)12-6-2-4-8-14(12)18;19-16-10-21-9-15(17(16)20)18-13-7-3-1-5-11(13)12-6-2-4-8-14(12)18;1-4(2)3;1-3-2;/h1-8,13,16-17,22H,9-10H2;1-8,15-17H,9-10H2;1-8,15-17,19-20H,9-10H2;;;/q;;;;-1;+1/t13-,16+,17+;15-,16-,17+,23?;15-,16-,17+;;;/m100.../s1
• InChIKey: LDYKEMGNJFVPGH-TVXCZHAKSA-N
• XLogP: 7.13
• TPSA: 263.23 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 14
• Rotatable Bonds: 4
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1105.03
LogP ≤ 5	7.13
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', '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;(3aS,7S,7aR)-7-carbazol-9-yl-4,6,7,7a-tetrahydro-3aH-[1,3,2]dioxathiolo[4,5-c]pyran 2-oxide;(3R,4R,5S)-3-azido-5-carbazol-9-yloxan-4-ol;(3S,4R,5S)-5-carbazol-9-yloxane-3,4-diol;thionyl dichloride;azide?

The IUPAC name of sodium;(3aS,7S,7aR)-7-carbazol-9-yl-4,6,7,7a-tetrahydro-3aH-[1,3,2]dioxathiolo[4,5-c]pyran 2-oxide;(3R,4R,5S)-3-azido-5-carbazol-9-yloxan-4-ol;(3S,4R,5S)-5-carbazol-9-yloxane-3,4-diol;thionyl dichloride;azide (CID 158335948) is sodium;(3aS,7S,7aR)-7-carbazol-9-yl-4,6,7,7a-tetrahydro-3aH-[1,3,2]dioxathiolo[4,5-c]pyran 2-oxide;(3R,4R,5S)-3-azido-5-carbazol-9-yloxan-4-ol;(3S,4R,5S)-5-carbazol-9-yloxane-3,4-diol;thionyl dichloride;azide.

What is the SMILES notation for sodium;(3aS,7S,7aR)-7-carbazol-9-yl-4,6,7,7a-tetrahydro-3aH-[1,3,2]dioxathiolo[4,5-c]pyran 2-oxide;(3R,4R,5S)-3-azido-5-carbazol-9-yloxan-4-ol;(3S,4R,5S)-5-carbazol-9-yloxane-3,4-diol;thionyl dichloride;azide?

The canonical SMILES for sodium;(3aS,7S,7aR)-7-carbazol-9-yl-4,6,7,7a-tetrahydro-3aH-[1,3,2]dioxathiolo[4,5-c]pyran 2-oxide;(3R,4R,5S)-3-azido-5-carbazol-9-yloxan-4-ol;(3S,4R,5S)-5-carbazol-9-yloxane-3,4-diol;thionyl dichloride;azide is O=S(Cl)Cl.O=S1O[C@H]2[C@H](COC[C@@H]2n2c3ccccc3c3ccccc32)O1.O[C@H]1[C@@H](O)COC[C@@H]1n1c2ccccc2c2ccccc21.[N-]=[N+]=N[C@@H]1COC[C@H](n2c3ccccc3c3ccccc32)[C@H]1O.[N-]=[N+]=[N-].[Na+].

What is the InChIKey of sodium;(3aS,7S,7aR)-7-carbazol-9-yl-4,6,7,7a-tetrahydro-3aH-[1,3,2]dioxathiolo[4,5-c]pyran 2-oxide;(3R,4R,5S)-3-azido-5-carbazol-9-yloxan-4-ol;(3S,4R,5S)-5-carbazol-9-yloxane-3,4-diol;thionyl dichloride;azide?

The InChIKey is LDYKEMGNJFVPGH-TVXCZHAKSA-N. The full InChI is InChI=1S/C17H16N4O2.C17H15NO4S.C17H17NO3.Cl2OS.N3.Na/c18-20-19-13-9-23-10-16(17(13)22)21-14-7-3-1-5-11(14)12-6-2-4-8-15(12)21;19-23-21-16-10-20-9-15(17(16)22-23)18-13-7-3-1-5-11(13)12-6-2-4-8-14(12)18;19-16-10-21-9-15(17(16)20)18-13-7-3-1-5-11(13)12-6-2-4-8-14(12)18;1-4(2)3;1-3-2;/h1-8,13,16-17,22H,9-10H2;1-8,15-17H,9-10H2;1-8,15-17,19-20H,9-10H2;;;/q;;;;-1;+1/t13-,16+,17+;15-,16-,17+,23?;15-,16-,17+;;;/m100.../s1.

What are the key properties of sodium;(3aS,7S,7aR)-7-carbazol-9-yl-4,6,7,7a-tetrahydro-3aH-[1,3,2]dioxathiolo[4,5-c]pyran 2-oxide;(3R,4R,5S)-3-azido-5-carbazol-9-yloxan-4-ol;(3S,4R,5S)-5-carbazol-9-yloxane-3,4-diol;thionyl dichloride;azide?

sodium;(3aS,7S,7aR)-7-carbazol-9-yl-4,6,7,7a-tetrahydro-3aH-[1,3,2]dioxathiolo[4,5-c]pyran 2-oxide;(3R,4R,5S)-3-azido-5-carbazol-9-yloxan-4-ol;(3S,4R,5S)-5-carbazol-9-yloxane-3,4-diol;thionyl dichloride;azide has a molecular weight of 1105.03 g/mol, XLogP of 7.13, 4 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;(3aS,7S,7aR)-7-carbazol-9-yl-4,6,7,7a-tetrahydro-3aH-[1,3,2]dioxathiolo[4,5-c]pyran 2-oxide;(3R,4R,5S)-3-azido-5-carbazol-9-yloxan-4-ol;(3S,4R,5S)-5-carbazol-9-yloxane-3,4-diol;thionyl dichloride;azide is sourced from PubChem (CID 158335948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).