sodium;(3aS,7S,7aR)-7-(3-fluorocarbazol-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-fluorocarbazol-9-yl)oxan-4-ol;(3R,4R,5S)-3-azido-5-(3-fluorocarbazol-9-yl)oxan-4-ol;tert-butyl 3,6-dihydro-2H-pyran-3-yl carbonate;N,N-diethylethanamine;9-[(3R)-3,6-dihydro-2H-pyran-3-yl]-3-fluorocarbazole;3-fluoro-9H-carbazole;(3S,4R,5S)-5-(3-fluorocarbazol-9-yl)oxane-3,4-diol;thionyl dichloride;4-(trifluoromethoxy)benzenesulfonyl chloride;azide

C120H119Cl3F9N14NaO20S3 — CID 162063349

About sodium;(3aS,7S,7aR)-7-(3-fluorocarbazol-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-fluorocarbazol-9-yl)oxan-4-ol;(3R,4R,5S)-3-azido-5-(3-fluorocarbazol-9-yl)oxan-4-ol;tert-butyl 3,6-dihydro-2H-pyran-3-yl carbonate;N,N-diethylethanamine;9-[(3R)-3,6-dihydro-2H-pyran-3-yl]-3-fluorocarbazole;3-fluoro-9H-carbazole;(3S,4R,5S)-5-(3-fluorocarbazol-9-yl)oxane-3,4-diol;thionyl dichloride;4-(trifluoromethoxy)benzenesulfonyl chloride;azide

sodium;(3aS,7S,7aR)-7-(3-fluorocarbazol-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-fluorocarbazol-9-yl)oxan-4-ol;(3R,4R,5S)-3-azido-5-(3-fluorocarbazol-9-yl)oxan-4-ol;tert-butyl 3,6-dihydro-2H-pyran-3-yl carbonate;N,N-diethylethanamine;9-[(3R)-3,6-dihydro-2H-pyran-3-yl]-3-fluorocarbazole;3-fluoro-9H-carbazole;(3S,4R,5S)-5-(3-fluorocarbazol-9-yl)oxane-3,4-diol;thionyl dichloride;4-(trifluoromethoxy)benzenesulfonyl chloride;azide (PubChem CID 162063349) has the molecular formula C120H119Cl3F9N14NaO20S3 and a molecular weight of 2473.88 g/mol. Its IUPAC name is sodium;(3aS,7S,7aR)-7-(3-fluorocarbazol-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-fluorocarbazol-9-yl)oxan-4-ol;(3R,4R,5S)-3-azido-5-(3-fluorocarbazol-9-yl)oxan-4-ol;tert-butyl 3,6-dihydro-2H-pyran-3-yl carbonate;N,N-diethylethanamine;9-[(3R)-3,6-dihydro-2H-pyran-3-yl]-3-fluorocarbazole;3-fluoro-9H-carbazole;(3S,4R,5S)-5-(3-fluorocarbazol-9-yl)oxane-3,4-diol;thionyl dichloride;4-(trifluoromethoxy)benzenesulfonyl chloride;azide.

Molecular Properties

• Compound Name: sodium;(3aS,7S,7aR)-7-(3-fluorocarbazol-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-fluorocarbazol-9-yl)oxan-4-ol;(3R,4R,5S)-3-azido-5-(3-fluorocarbazol-9-yl)oxan-4-ol;tert-butyl 3,6-dihydro-2H-pyran-3-yl carbonate;N,N-diethylethanamine;9-[(3R)-3,6-dihydro-2H-pyran-3-yl]-3-fluorocarbazole;3-fluoro-9H-carbazole;(3S,4R,5S)-5-(3-fluorocarbazol-9-yl)oxane-3,4-diol;thionyl dichloride;4-(trifluoromethoxy)benzenesulfonyl chloride;azide
• PubChem CID: 162063349
• Molecular Formula: C120H119Cl3F9N14NaO20S3
• Molecular Weight: 2473.88 g/mol
• Exact Mass: 2470.67
• IUPAC Name: sodium;(3aS,7S,7aR)-7-(3-fluorocarbazol-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-fluorocarbazol-9-yl)oxan-4-ol;(3R,4R,5S)-3-azido-5-(3-fluorocarbazol-9-yl)oxan-4-ol;tert-butyl 3,6-dihydro-2H-pyran-3-yl carbonate;N,N-diethylethanamine;9-[(3R)-3,6-dihydro-2H-pyran-3-yl]-3-fluorocarbazole;3-fluoro-9H-carbazole;(3S,4R,5S)-5-(3-fluorocarbazol-9-yl)oxane-3,4-diol;thionyl dichloride;4-(trifluoromethoxy)benzenesulfonyl chloride;azide
• SMILES: CC(C)(C)OC(=O)OC1C=CCOC1.CCN(CC)CC.Fc1ccc2[nH]c3ccccc3c2c1.Fc1ccc2c(c1)c1ccccc1n2[C@@H]1C=CCOC1.N[C@@H]1COC[C@H](n2c3ccccc3c3cc(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]2n2c3ccccc3c3cc(F)ccc32)O1.O[C@H]1[C@@H](O)COC[C@@H]1n1c2ccccc2c2cc(F)ccc21.[N-]=[N+]=N[C@@H]1COC[C@H](n2c3ccccc3c3cc(F)ccc32)[C@H]1O.[N-]=[N+]=[N-].[Na+]
• InChI: InChI=1S/C17H15FN4O2.C17H17FN2O2.C17H14FNO4S.C17H16FNO3.C17H14FNO.C12H8FN.C10H16O4.C7H4ClF3O3S.C6H15N.Cl2OS.N3.Na/c18-10-5-6-15-12(7-10)11-3-1-2-4-14(11)22(15)16-9-24-8-13(17(16)23)20-21-19;18-10-5-6-15-12(7-10)11-3-1-2-4-14(11)20(15)16-9-22-8-13(19)17(16)21;18-10-5-6-14-12(7-10)11-3-1-2-4-13(11)19(14)15-8-21-9-16-17(15)23-24(20)22-16;18-10-5-6-14-12(7-10)11-3-1-2-4-13(11)19(14)15-8-22-9-16(20)17(15)21;18-12-7-8-17-15(10-12)14-5-1-2-6-16(14)19(17)13-4-3-9-20-11-13;13-8-5-6-12-10(7-8)9-3-1-2-4-11(9)14-12;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;/h1-7,13,16-17,23H,8-9H2;1-7,13,16-17,21H,8-9,19H2;1-7,15-17H,8-9H2;1-7,15-17,20-21H,8-9H2;1-8,10,13H,9,11H2;1-7,14H;4-5,8H,6-7H2,1-3H3;1-4H;4-6H2,1-3H3;;;/q;;;;;;;;;;-1;+1/t2*13-,16+,17+;15-,16-,17+,24?;15-,16-,17+;13-;;;;;;;/m11001......./s1
• InChIKey: TUXUAUOCVXBBPR-DYFYLPQESA-N
• XLogP: 23.02
• TPSA: 444.96 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 28
• Rotatable Bonds: 12
• Heavy Atoms: 170
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2473.88
LogP ≤ 5	23.02
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-fluorocarbazol-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-fluorocarbazol-9-yl)oxan-4-ol;(3R,4R,5S)-3-azido-5-(3-fluorocarbazol-9-yl)oxan-4-ol;tert-butyl 3,6-dihydro-2H-pyran-3-yl carbonate;N,N-diethylethanamine;9-[(3R)-3,6-dihydro-2H-pyran-3-yl]-3-fluorocarbazole;3-fluoro-9H-carbazole;(3S,4R,5S)-5-(3-fluorocarbazol-9-yl)oxane-3,4-diol;thionyl dichloride;4-(trifluoromethoxy)benzenesulfonyl chloride;azide?

The IUPAC name of sodium;(3aS,7S,7aR)-7-(3-fluorocarbazol-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-fluorocarbazol-9-yl)oxan-4-ol;(3R,4R,5S)-3-azido-5-(3-fluorocarbazol-9-yl)oxan-4-ol;tert-butyl 3,6-dihydro-2H-pyran-3-yl carbonate;N,N-diethylethanamine;9-[(3R)-3,6-dihydro-2H-pyran-3-yl]-3-fluorocarbazole;3-fluoro-9H-carbazole;(3S,4R,5S)-5-(3-fluorocarbazol-9-yl)oxane-3,4-diol;thionyl dichloride;4-(trifluoromethoxy)benzenesulfonyl chloride;azide (CID 162063349) is sodium;(3aS,7S,7aR)-7-(3-fluorocarbazol-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-fluorocarbazol-9-yl)oxan-4-ol;(3R,4R,5S)-3-azido-5-(3-fluorocarbazol-9-yl)oxan-4-ol;tert-butyl 3,6-dihydro-2H-pyran-3-yl carbonate;N,N-diethylethanamine;9-[(3R)-3,6-dihydro-2H-pyran-3-yl]-3-fluorocarbazole;3-fluoro-9H-carbazole;(3S,4R,5S)-5-(3-fluorocarbazol-9-yl)oxane-3,4-diol;thionyl dichloride;4-(trifluoromethoxy)benzenesulfonyl chloride;azide.

What is the SMILES notation for sodium;(3aS,7S,7aR)-7-(3-fluorocarbazol-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-fluorocarbazol-9-yl)oxan-4-ol;(3R,4R,5S)-3-azido-5-(3-fluorocarbazol-9-yl)oxan-4-ol;tert-butyl 3,6-dihydro-2H-pyran-3-yl carbonate;N,N-diethylethanamine;9-[(3R)-3,6-dihydro-2H-pyran-3-yl]-3-fluorocarbazole;3-fluoro-9H-carbazole;(3S,4R,5S)-5-(3-fluorocarbazol-9-yl)oxane-3,4-diol;thionyl dichloride;4-(trifluoromethoxy)benzenesulfonyl chloride;azide?

The canonical SMILES for sodium;(3aS,7S,7aR)-7-(3-fluorocarbazol-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-fluorocarbazol-9-yl)oxan-4-ol;(3R,4R,5S)-3-azido-5-(3-fluorocarbazol-9-yl)oxan-4-ol;tert-butyl 3,6-dihydro-2H-pyran-3-yl carbonate;N,N-diethylethanamine;9-[(3R)-3,6-dihydro-2H-pyran-3-yl]-3-fluorocarbazole;3-fluoro-9H-carbazole;(3S,4R,5S)-5-(3-fluorocarbazol-9-yl)oxane-3,4-diol;thionyl dichloride;4-(trifluoromethoxy)benzenesulfonyl chloride;azide is CC(C)(C)OC(=O)OC1C=CCOC1.CCN(CC)CC.Fc1ccc2[nH]c3ccccc3c2c1.Fc1ccc2c(c1)c1ccccc1n2[C@@H]1C=CCOC1.N[C@@H]1COC[C@H](n2c3ccccc3c3cc(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]2n2c3ccccc3c3cc(F)ccc32)O1.O[C@H]1[C@@H](O)COC[C@@H]1n1c2ccccc2c2cc(F)ccc21.[N-]=[N+]=N[C@@H]1COC[C@H](n2c3ccccc3c3cc(F)ccc32)[C@H]1O.[N-]=[N+]=[N-].[Na+].

What is the InChIKey of sodium;(3aS,7S,7aR)-7-(3-fluorocarbazol-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-fluorocarbazol-9-yl)oxan-4-ol;(3R,4R,5S)-3-azido-5-(3-fluorocarbazol-9-yl)oxan-4-ol;tert-butyl 3,6-dihydro-2H-pyran-3-yl carbonate;N,N-diethylethanamine;9-[(3R)-3,6-dihydro-2H-pyran-3-yl]-3-fluorocarbazole;3-fluoro-9H-carbazole;(3S,4R,5S)-5-(3-fluorocarbazol-9-yl)oxane-3,4-diol;thionyl dichloride;4-(trifluoromethoxy)benzenesulfonyl chloride;azide?

The InChIKey is TUXUAUOCVXBBPR-DYFYLPQESA-N. The full InChI is InChI=1S/C17H15FN4O2.C17H17FN2O2.C17H14FNO4S.C17H16FNO3.C17H14FNO.C12H8FN.C10H16O4.C7H4ClF3O3S.C6H15N.Cl2OS.N3.Na/c18-10-5-6-15-12(7-10)11-3-1-2-4-14(11)22(15)16-9-24-8-13(17(16)23)20-21-19;18-10-5-6-15-12(7-10)11-3-1-2-4-14(11)20(15)16-9-22-8-13(19)17(16)21;18-10-5-6-14-12(7-10)11-3-1-2-4-13(11)19(14)15-8-21-9-16-17(15)23-24(20)22-16;18-10-5-6-14-12(7-10)11-3-1-2-4-13(11)19(14)15-8-22-9-16(20)17(15)21;18-12-7-8-17-15(10-12)14-5-1-2-6-16(14)19(17)13-4-3-9-20-11-13;13-8-5-6-12-10(7-8)9-3-1-2-4-11(9)14-12;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;/h1-7,13,16-17,23H,8-9H2;1-7,13,16-17,21H,8-9,19H2;1-7,15-17H,8-9H2;1-7,15-17,20-21H,8-9H2;1-8,10,13H,9,11H2;1-7,14H;4-5,8H,6-7H2,1-3H3;1-4H;4-6H2,1-3H3;;;/q;;;;;;;;;;-1;+1/t2*13-,16+,17+;15-,16-,17+,24?;15-,16-,17+;13-;;;;;;;/m11001......./s1.

What are the key properties of sodium;(3aS,7S,7aR)-7-(3-fluorocarbazol-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-fluorocarbazol-9-yl)oxan-4-ol;(3R,4R,5S)-3-azido-5-(3-fluorocarbazol-9-yl)oxan-4-ol;tert-butyl 3,6-dihydro-2H-pyran-3-yl carbonate;N,N-diethylethanamine;9-[(3R)-3,6-dihydro-2H-pyran-3-yl]-3-fluorocarbazole;3-fluoro-9H-carbazole;(3S,4R,5S)-5-(3-fluorocarbazol-9-yl)oxane-3,4-diol;thionyl dichloride;4-(trifluoromethoxy)benzenesulfonyl chloride;azide?

sodium;(3aS,7S,7aR)-7-(3-fluorocarbazol-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-fluorocarbazol-9-yl)oxan-4-ol;(3R,4R,5S)-3-azido-5-(3-fluorocarbazol-9-yl)oxan-4-ol;tert-butyl 3,6-dihydro-2H-pyran-3-yl carbonate;N,N-diethylethanamine;9-[(3R)-3,6-dihydro-2H-pyran-3-yl]-3-fluorocarbazole;3-fluoro-9H-carbazole;(3S,4R,5S)-5-(3-fluorocarbazol-9-yl)oxane-3,4-diol;thionyl dichloride;4-(trifluoromethoxy)benzenesulfonyl chloride;azide has a molecular weight of 2473.88 g/mol, XLogP of 23.02, 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-fluorocarbazol-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-fluorocarbazol-9-yl)oxan-4-ol;(3R,4R,5S)-3-azido-5-(3-fluorocarbazol-9-yl)oxan-4-ol;tert-butyl 3,6-dihydro-2H-pyran-3-yl carbonate;N,N-diethylethanamine;9-[(3R)-3,6-dihydro-2H-pyran-3-yl]-3-fluorocarbazole;3-fluoro-9H-carbazole;(3S,4R,5S)-5-(3-fluorocarbazol-9-yl)oxane-3,4-diol;thionyl dichloride;4-(trifluoromethoxy)benzenesulfonyl chloride;azide is sourced from PubChem (CID 162063349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).