sodium;(3aS,7S,7aR)-7-(3,6-difluorocarbazol-9-yl)-4,6,7,7a-tetrahydro-3aH-[1,3,2]dioxathiolo[4,5-c]pyran 2-oxide;(3R,4S,5S)-3-amino-5-(3,6-difluorocarbazol-9-yl)oxan-4-ol;(3R,4R,5S)-3-azido-5-(3,6-difluorocarbazol-9-yl)oxan-4-ol;tert-butyl 3,6-dihydro-2H-pyran-3-yl carbonate;N,N-diethylethanamine;3,6-difluoro-9H-carbazole;(3S,4R,5S)-5-(3,6-difluorocarbazol-9-yl)oxane-3,4-diol;9-[(3R)-3,6-dihydro-2H-pyran-3-yl]-3,6-difluorocarbazole;thionyl dichloride;4-(trifluoromethoxy)benzenesulfonyl chloride;azide

C120H113Cl3F15N14NaO20S3 — CID 160931334

About sodium;(3aS,7S,7aR)-7-(3,6-difluorocarbazol-9-yl)-4,6,7,7a-tetrahydro-3aH-[1,3,2]dioxathiolo[4,5-c]pyran 2-oxide;(3R,4S,5S)-3-amino-5-(3,6-difluorocarbazol-9-yl)oxan-4-ol;(3R,4R,5S)-3-azido-5-(3,6-difluorocarbazol-9-yl)oxan-4-ol;tert-butyl 3,6-dihydro-2H-pyran-3-yl carbonate;N,N-diethylethanamine;3,6-difluoro-9H-carbazole;(3S,4R,5S)-5-(3,6-difluorocarbazol-9-yl)oxane-3,4-diol;9-[(3R)-3,6-dihydro-2H-pyran-3-yl]-3,6-difluorocarbazole;thionyl dichloride;4-(trifluoromethoxy)benzenesulfonyl chloride;azide

sodium;(3aS,7S,7aR)-7-(3,6-difluorocarbazol-9-yl)-4,6,7,7a-tetrahydro-3aH-[1,3,2]dioxathiolo[4,5-c]pyran 2-oxide;(3R,4S,5S)-3-amino-5-(3,6-difluorocarbazol-9-yl)oxan-4-ol;(3R,4R,5S)-3-azido-5-(3,6-difluorocarbazol-9-yl)oxan-4-ol;tert-butyl 3,6-dihydro-2H-pyran-3-yl carbonate;N,N-diethylethanamine;3,6-difluoro-9H-carbazole;(3S,4R,5S)-5-(3,6-difluorocarbazol-9-yl)oxane-3,4-diol;9-[(3R)-3,6-dihydro-2H-pyran-3-yl]-3,6-difluorocarbazole;thionyl dichloride;4-(trifluoromethoxy)benzenesulfonyl chloride;azide (PubChem CID 160931334) has the molecular formula C120H113Cl3F15N14NaO20S3 and a molecular weight of 2581.82 g/mol. Its IUPAC name is sodium;(3aS,7S,7aR)-7-(3,6-difluorocarbazol-9-yl)-4,6,7,7a-tetrahydro-3aH-[1,3,2]dioxathiolo[4,5-c]pyran 2-oxide;(3R,4S,5S)-3-amino-5-(3,6-difluorocarbazol-9-yl)oxan-4-ol;(3R,4R,5S)-3-azido-5-(3,6-difluorocarbazol-9-yl)oxan-4-ol;tert-butyl 3,6-dihydro-2H-pyran-3-yl carbonate;N,N-diethylethanamine;3,6-difluoro-9H-carbazole;(3S,4R,5S)-5-(3,6-difluorocarbazol-9-yl)oxane-3,4-diol;9-[(3R)-3,6-dihydro-2H-pyran-3-yl]-3,6-difluorocarbazole;thionyl dichloride;4-(trifluoromethoxy)benzenesulfonyl chloride;azide.

Molecular Properties

• Compound Name: sodium;(3aS,7S,7aR)-7-(3,6-difluorocarbazol-9-yl)-4,6,7,7a-tetrahydro-3aH-[1,3,2]dioxathiolo[4,5-c]pyran 2-oxide;(3R,4S,5S)-3-amino-5-(3,6-difluorocarbazol-9-yl)oxan-4-ol;(3R,4R,5S)-3-azido-5-(3,6-difluorocarbazol-9-yl)oxan-4-ol;tert-butyl 3,6-dihydro-2H-pyran-3-yl carbonate;N,N-diethylethanamine;3,6-difluoro-9H-carbazole;(3S,4R,5S)-5-(3,6-difluorocarbazol-9-yl)oxane-3,4-diol;9-[(3R)-3,6-dihydro-2H-pyran-3-yl]-3,6-difluorocarbazole;thionyl dichloride;4-(trifluoromethoxy)benzenesulfonyl chloride;azide
• PubChem CID: 160931334
• Molecular Formula: C120H113Cl3F15N14NaO20S3
• Molecular Weight: 2581.82 g/mol
• Exact Mass: 2578.61
• IUPAC Name: sodium;(3aS,7S,7aR)-7-(3,6-difluorocarbazol-9-yl)-4,6,7,7a-tetrahydro-3aH-[1,3,2]dioxathiolo[4,5-c]pyran 2-oxide;(3R,4S,5S)-3-amino-5-(3,6-difluorocarbazol-9-yl)oxan-4-ol;(3R,4R,5S)-3-azido-5-(3,6-difluorocarbazol-9-yl)oxan-4-ol;tert-butyl 3,6-dihydro-2H-pyran-3-yl carbonate;N,N-diethylethanamine;3,6-difluoro-9H-carbazole;(3S,4R,5S)-5-(3,6-difluorocarbazol-9-yl)oxane-3,4-diol;9-[(3R)-3,6-dihydro-2H-pyran-3-yl]-3,6-difluorocarbazole;thionyl dichloride;4-(trifluoromethoxy)benzenesulfonyl chloride;azide
• SMILES: CC(C)(C)OC(=O)OC1C=CCOC1.CCN(CC)CC.Fc1ccc2[nH]c3ccc(F)cc3c2c1.Fc1ccc2c(c1)c1cc(F)ccc1n2[C@@H]1C=CCOC1.N[C@@H]1COC[C@H](n2c3ccc(F)cc3c3cc(F)ccc32)[C@H]1O.O=S(=O)(Cl)c1ccc(OC(F)(F)F)cc1.O=S(Cl)Cl.O=S1O[C@H]2[C@H](COC[C@@H]2n2c3ccc(F)cc3c3cc(F)ccc32)O1.O[C@H]1[C@@H](O)COC[C@@H]1n1c2ccc(F)cc2c2cc(F)ccc21.[N-]=[N+]=N[C@@H]1COC[C@H](n2c3ccc(F)cc3c3cc(F)ccc32)[C@H]1O.[N-]=[N+]=[N-].[Na+]
• InChI: InChI=1S/C17H14F2N4O2.C17H16F2N2O2.C17H13F2NO4S.C17H15F2NO3.C17H13F2NO.C12H7F2N.C10H16O4.C7H4ClF3O3S.C6H15N.Cl2OS.N3.Na/c18-9-1-3-14-11(5-9)12-6-10(19)2-4-15(12)23(14)16-8-25-7-13(17(16)24)21-22-20;18-9-1-3-14-11(5-9)12-6-10(19)2-4-15(12)21(14)16-8-23-7-13(20)17(16)22;18-9-1-3-13-11(5-9)12-6-10(19)2-4-14(12)20(13)15-7-22-8-16-17(15)24-25(21)23-16;18-9-1-3-13-11(5-9)12-6-10(19)2-4-14(12)20(13)15-7-23-8-16(21)17(15)22;18-11-3-5-16-14(8-11)15-9-12(19)4-6-17(15)20(16)13-2-1-7-21-10-13;13-7-1-3-11-9(5-7)10-6-8(14)2-4-12(10)15-11;1-10(2,3)14-9(11)13-8-5-4-6-12-7-8;8-15(12,13)6-3-1-5(2-4-6)14-7(9,10)11;1-4-7(5-2)6-3;1-4(2)3;1-3-2;/h1-6,13,16-17,24H,7-8H2;1-6,13,16-17,22H,7-8,20H2;1-6,15-17H,7-8H2;1-6,15-17,21-22H,7-8H2;1-6,8-9,13H,7,10H2;1-6,15H;4-5,8H,6-7H2,1-3H3;1-4H;4-6H2,1-3H3;;;/q;;;;;;;;;;-1;+1/t2*13-,16+,17+;15-,16-,17+,25?;15-,16-,17+;13-;;;;;;;/m11001......./s1
• InChIKey: RBRHZGNONFEIHK-PTTNYZEESA-N
• XLogP: 23.85
• TPSA: 444.96 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 28
• Rotatable Bonds: 12
• Heavy Atoms: 176
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2581.82
LogP ≤ 5	23.85
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	28

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': 'isolated_alkene', '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-(3,6-difluorocarbazol-9-yl)-4,6,7,7a-tetrahydro-3aH-[1,3,2]dioxathiolo[4,5-c]pyran 2-oxide;(3R,4S,5S)-3-amino-5-(3,6-difluorocarbazol-9-yl)oxan-4-ol;(3R,4R,5S)-3-azido-5-(3,6-difluorocarbazol-9-yl)oxan-4-ol;tert-butyl 3,6-dihydro-2H-pyran-3-yl carbonate;N,N-diethylethanamine;3,6-difluoro-9H-carbazole;(3S,4R,5S)-5-(3,6-difluorocarbazol-9-yl)oxane-3,4-diol;9-[(3R)-3,6-dihydro-2H-pyran-3-yl]-3,6-difluorocarbazole;thionyl dichloride;4-(trifluoromethoxy)benzenesulfonyl chloride;azide?

The IUPAC name of sodium;(3aS,7S,7aR)-7-(3,6-difluorocarbazol-9-yl)-4,6,7,7a-tetrahydro-3aH-[1,3,2]dioxathiolo[4,5-c]pyran 2-oxide;(3R,4S,5S)-3-amino-5-(3,6-difluorocarbazol-9-yl)oxan-4-ol;(3R,4R,5S)-3-azido-5-(3,6-difluorocarbazol-9-yl)oxan-4-ol;tert-butyl 3,6-dihydro-2H-pyran-3-yl carbonate;N,N-diethylethanamine;3,6-difluoro-9H-carbazole;(3S,4R,5S)-5-(3,6-difluorocarbazol-9-yl)oxane-3,4-diol;9-[(3R)-3,6-dihydro-2H-pyran-3-yl]-3,6-difluorocarbazole;thionyl dichloride;4-(trifluoromethoxy)benzenesulfonyl chloride;azide (CID 160931334) is sodium;(3aS,7S,7aR)-7-(3,6-difluorocarbazol-9-yl)-4,6,7,7a-tetrahydro-3aH-[1,3,2]dioxathiolo[4,5-c]pyran 2-oxide;(3R,4S,5S)-3-amino-5-(3,6-difluorocarbazol-9-yl)oxan-4-ol;(3R,4R,5S)-3-azido-5-(3,6-difluorocarbazol-9-yl)oxan-4-ol;tert-butyl 3,6-dihydro-2H-pyran-3-yl carbonate;N,N-diethylethanamine;3,6-difluoro-9H-carbazole;(3S,4R,5S)-5-(3,6-difluorocarbazol-9-yl)oxane-3,4-diol;9-[(3R)-3,6-dihydro-2H-pyran-3-yl]-3,6-difluorocarbazole;thionyl dichloride;4-(trifluoromethoxy)benzenesulfonyl chloride;azide.

What is the SMILES notation for sodium;(3aS,7S,7aR)-7-(3,6-difluorocarbazol-9-yl)-4,6,7,7a-tetrahydro-3aH-[1,3,2]dioxathiolo[4,5-c]pyran 2-oxide;(3R,4S,5S)-3-amino-5-(3,6-difluorocarbazol-9-yl)oxan-4-ol;(3R,4R,5S)-3-azido-5-(3,6-difluorocarbazol-9-yl)oxan-4-ol;tert-butyl 3,6-dihydro-2H-pyran-3-yl carbonate;N,N-diethylethanamine;3,6-difluoro-9H-carbazole;(3S,4R,5S)-5-(3,6-difluorocarbazol-9-yl)oxane-3,4-diol;9-[(3R)-3,6-dihydro-2H-pyran-3-yl]-3,6-difluorocarbazole;thionyl dichloride;4-(trifluoromethoxy)benzenesulfonyl chloride;azide?

The canonical SMILES for sodium;(3aS,7S,7aR)-7-(3,6-difluorocarbazol-9-yl)-4,6,7,7a-tetrahydro-3aH-[1,3,2]dioxathiolo[4,5-c]pyran 2-oxide;(3R,4S,5S)-3-amino-5-(3,6-difluorocarbazol-9-yl)oxan-4-ol;(3R,4R,5S)-3-azido-5-(3,6-difluorocarbazol-9-yl)oxan-4-ol;tert-butyl 3,6-dihydro-2H-pyran-3-yl carbonate;N,N-diethylethanamine;3,6-difluoro-9H-carbazole;(3S,4R,5S)-5-(3,6-difluorocarbazol-9-yl)oxane-3,4-diol;9-[(3R)-3,6-dihydro-2H-pyran-3-yl]-3,6-difluorocarbazole;thionyl dichloride;4-(trifluoromethoxy)benzenesulfonyl chloride;azide is CC(C)(C)OC(=O)OC1C=CCOC1.CCN(CC)CC.Fc1ccc2[nH]c3ccc(F)cc3c2c1.Fc1ccc2c(c1)c1cc(F)ccc1n2[C@@H]1C=CCOC1.N[C@@H]1COC[C@H](n2c3ccc(F)cc3c3cc(F)ccc32)[C@H]1O.O=S(=O)(Cl)c1ccc(OC(F)(F)F)cc1.O=S(Cl)Cl.O=S1O[C@H]2[C@H](COC[C@@H]2n2c3ccc(F)cc3c3cc(F)ccc32)O1.O[C@H]1[C@@H](O)COC[C@@H]1n1c2ccc(F)cc2c2cc(F)ccc21.[N-]=[N+]=N[C@@H]1COC[C@H](n2c3ccc(F)cc3c3cc(F)ccc32)[C@H]1O.[N-]=[N+]=[N-].[Na+].

What is the InChIKey of sodium;(3aS,7S,7aR)-7-(3,6-difluorocarbazol-9-yl)-4,6,7,7a-tetrahydro-3aH-[1,3,2]dioxathiolo[4,5-c]pyran 2-oxide;(3R,4S,5S)-3-amino-5-(3,6-difluorocarbazol-9-yl)oxan-4-ol;(3R,4R,5S)-3-azido-5-(3,6-difluorocarbazol-9-yl)oxan-4-ol;tert-butyl 3,6-dihydro-2H-pyran-3-yl carbonate;N,N-diethylethanamine;3,6-difluoro-9H-carbazole;(3S,4R,5S)-5-(3,6-difluorocarbazol-9-yl)oxane-3,4-diol;9-[(3R)-3,6-dihydro-2H-pyran-3-yl]-3,6-difluorocarbazole;thionyl dichloride;4-(trifluoromethoxy)benzenesulfonyl chloride;azide?

The InChIKey is RBRHZGNONFEIHK-PTTNYZEESA-N. The full InChI is InChI=1S/C17H14F2N4O2.C17H16F2N2O2.C17H13F2NO4S.C17H15F2NO3.C17H13F2NO.C12H7F2N.C10H16O4.C7H4ClF3O3S.C6H15N.Cl2OS.N3.Na/c18-9-1-3-14-11(5-9)12-6-10(19)2-4-15(12)23(14)16-8-25-7-13(17(16)24)21-22-20;18-9-1-3-14-11(5-9)12-6-10(19)2-4-15(12)21(14)16-8-23-7-13(20)17(16)22;18-9-1-3-13-11(5-9)12-6-10(19)2-4-14(12)20(13)15-7-22-8-16-17(15)24-25(21)23-16;18-9-1-3-13-11(5-9)12-6-10(19)2-4-14(12)20(13)15-7-23-8-16(21)17(15)22;18-11-3-5-16-14(8-11)15-9-12(19)4-6-17(15)20(16)13-2-1-7-21-10-13;13-7-1-3-11-9(5-7)10-6-8(14)2-4-12(10)15-11;1-10(2,3)14-9(11)13-8-5-4-6-12-7-8;8-15(12,13)6-3-1-5(2-4-6)14-7(9,10)11;1-4-7(5-2)6-3;1-4(2)3;1-3-2;/h1-6,13,16-17,24H,7-8H2;1-6,13,16-17,22H,7-8,20H2;1-6,15-17H,7-8H2;1-6,15-17,21-22H,7-8H2;1-6,8-9,13H,7,10H2;1-6,15H;4-5,8H,6-7H2,1-3H3;1-4H;4-6H2,1-3H3;;;/q;;;;;;;;;;-1;+1/t2*13-,16+,17+;15-,16-,17+,25?;15-,16-,17+;13-;;;;;;;/m11001......./s1.

What are the key properties of sodium;(3aS,7S,7aR)-7-(3,6-difluorocarbazol-9-yl)-4,6,7,7a-tetrahydro-3aH-[1,3,2]dioxathiolo[4,5-c]pyran 2-oxide;(3R,4S,5S)-3-amino-5-(3,6-difluorocarbazol-9-yl)oxan-4-ol;(3R,4R,5S)-3-azido-5-(3,6-difluorocarbazol-9-yl)oxan-4-ol;tert-butyl 3,6-dihydro-2H-pyran-3-yl carbonate;N,N-diethylethanamine;3,6-difluoro-9H-carbazole;(3S,4R,5S)-5-(3,6-difluorocarbazol-9-yl)oxane-3,4-diol;9-[(3R)-3,6-dihydro-2H-pyran-3-yl]-3,6-difluorocarbazole;thionyl dichloride;4-(trifluoromethoxy)benzenesulfonyl chloride;azide?

sodium;(3aS,7S,7aR)-7-(3,6-difluorocarbazol-9-yl)-4,6,7,7a-tetrahydro-3aH-[1,3,2]dioxathiolo[4,5-c]pyran 2-oxide;(3R,4S,5S)-3-amino-5-(3,6-difluorocarbazol-9-yl)oxan-4-ol;(3R,4R,5S)-3-azido-5-(3,6-difluorocarbazol-9-yl)oxan-4-ol;tert-butyl 3,6-dihydro-2H-pyran-3-yl carbonate;N,N-diethylethanamine;3,6-difluoro-9H-carbazole;(3S,4R,5S)-5-(3,6-difluorocarbazol-9-yl)oxane-3,4-diol;9-[(3R)-3,6-dihydro-2H-pyran-3-yl]-3,6-difluorocarbazole;thionyl dichloride;4-(trifluoromethoxy)benzenesulfonyl chloride;azide has a molecular weight of 2581.82 g/mol, XLogP of 23.85, 12 rotatable bonds, 6 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;(3aS,7S,7aR)-7-(3,6-difluorocarbazol-9-yl)-4,6,7,7a-tetrahydro-3aH-[1,3,2]dioxathiolo[4,5-c]pyran 2-oxide;(3R,4S,5S)-3-amino-5-(3,6-difluorocarbazol-9-yl)oxan-4-ol;(3R,4R,5S)-3-azido-5-(3,6-difluorocarbazol-9-yl)oxan-4-ol;tert-butyl 3,6-dihydro-2H-pyran-3-yl carbonate;N,N-diethylethanamine;3,6-difluoro-9H-carbazole;(3S,4R,5S)-5-(3,6-difluorocarbazol-9-yl)oxane-3,4-diol;9-[(3R)-3,6-dihydro-2H-pyran-3-yl]-3,6-difluorocarbazole;thionyl dichloride;4-(trifluoromethoxy)benzenesulfonyl chloride;azide is sourced from PubChem (CID 160931334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).