bis[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;(1R,2S,10R,12R,13S)-5,19-dihydroxy-10-(hydroxymethyl)-8,16,18-trimethoxy-6,7,17,21-tetramethyl-11,21-diazapentacyclo[11.7.1.02,11.04,9.015,20]henicosa-4,6,8,15(20),16,18-hexaene-12-carbonitrile;(1R,2S,10R,13S)-5,19-dihydroxy-10-(hydroxymethyl)-8,16,18-trimethoxy-6,7,17,21-tetramethyl-11,21-diazapentacyclo[11.7.1.02,11.04,9.015,20]henicosa-4,6,8,15(20),16,18-hexaen-12-one;sulfanylidene-[[[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane

C55H69N5O13S27 — CID 158658414

About bis[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;(1R,2S,10R,12R,13S)-5,19-dihydroxy-10-(hydroxymethyl)-8,16,18-trimethoxy-6,7,17,21-tetramethyl-11,21-diazapentacyclo[11.7.1.02,11.04,9.015,20]henicosa-4,6,8,15(20),16,18-hexaene-12-carbonitrile;(1R,2S,10R,13S)-5,19-dihydroxy-10-(hydroxymethyl)-8,16,18-trimethoxy-6,7,17,21-tetramethyl-11,21-diazapentacyclo[11.7.1.02,11.04,9.015,20]henicosa-4,6,8,15(20),16,18-hexaen-12-one;sulfanylidene-[[[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane

bis[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;(1R,2S,10R,12R,13S)-5,19-dihydroxy-10-(hydroxymethyl)-8,16,18-trimethoxy-6,7,17,21-tetramethyl-11,21-diazapentacyclo[11.7.1.02,11.04,9.015,20]henicosa-4,6,8,15(20),16,18-hexaene-12-carbonitrile;(1R,2S,10R,13S)-5,19-dihydroxy-10-(hydroxymethyl)-8,16,18-trimethoxy-6,7,17,21-tetramethyl-11,21-diazapentacyclo[11.7.1.02,11.04,9.015,20]henicosa-4,6,8,15(20),16,18-hexaen-12-one;sulfanylidene-[[[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane (PubChem CID 158658414) has the molecular formula C55H69N5O13S27 and a molecular weight of 1873.99 g/mol. Its IUPAC name is bis[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;(1R,2S,10R,12R,13S)-5,19-dihydroxy-10-(hydroxymethyl)-8,16,18-trimethoxy-6,7,17,21-tetramethyl-11,21-diazapentacyclo[11.7.1.02,11.04,9.015,20]henicosa-4,6,8,15(20),16,18-hexaene-12-carbonitrile;(1R,2S,10R,13S)-5,19-dihydroxy-10-(hydroxymethyl)-8,16,18-trimethoxy-6,7,17,21-tetramethyl-11,21-diazapentacyclo[11.7.1.02,11.04,9.015,20]henicosa-4,6,8,15(20),16,18-hexaen-12-one;sulfanylidene-[[[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane.

Molecular Properties

• Compound Name: bis[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;(1R,2S,10R,12R,13S)-5,19-dihydroxy-10-(hydroxymethyl)-8,16,18-trimethoxy-6,7,17,21-tetramethyl-11,21-diazapentacyclo[11.7.1.02,11.04,9.015,20]henicosa-4,6,8,15(20),16,18-hexaene-12-carbonitrile;(1R,2S,10R,13S)-5,19-dihydroxy-10-(hydroxymethyl)-8,16,18-trimethoxy-6,7,17,21-tetramethyl-11,21-diazapentacyclo[11.7.1.02,11.04,9.015,20]henicosa-4,6,8,15(20),16,18-hexaen-12-one;sulfanylidene-[[[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane
• PubChem CID: 158658414
• Molecular Formula: C55H69N5O13S27
• Molecular Weight: 1873.99 g/mol
• Exact Mass: 1870.74
• IUPAC Name: bis[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;(1R,2S,10R,12R,13S)-5,19-dihydroxy-10-(hydroxymethyl)-8,16,18-trimethoxy-6,7,17,21-tetramethyl-11,21-diazapentacyclo[11.7.1.02,11.04,9.015,20]henicosa-4,6,8,15(20),16,18-hexaene-12-carbonitrile;(1R,2S,10R,13S)-5,19-dihydroxy-10-(hydroxymethyl)-8,16,18-trimethoxy-6,7,17,21-tetramethyl-11,21-diazapentacyclo[11.7.1.02,11.04,9.015,20]henicosa-4,6,8,15(20),16,18-hexaen-12-one;sulfanylidene-[[[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane
• SMILES: COc1c(C)c(OC)c2c(c1O)[C@@H]1[C@@H]3Cc4c(O)c(C)c(C)c(OC)c4[C@H](CO)N3C(=O)[C@H](C2)N1C.COc1c(C)c(OC)c2c(c1O)[C@@H]1[C@@H]3Cc4c(O)c(C)c(C)c(OC)c4[C@H](CO)N3[C@@H](C#N)[C@H](C2)N1C.S=S=S=S=S=S=S=S=S=S=S=S=S.S=S=S=S=S=S=S=S=S=S=S=S=S=S
• InChI: InChI=1S/C28H35N3O6.C27H34N2O7.S14.S13/c1-12-13(2)27(36-6)21-15(24(12)33)8-18-23-22-16(26(35-5)14(3)28(37-7)25(22)34)9-17(30(23)4)19(10-29)31(18)20(21)11-32;1-11-12(2)25(35-6)19-14(22(11)31)8-16-21-20-15(24(34-5)13(3)26(36-7)23(20)32)9-17(28(21)4)27(33)29(16)18(19)10-30;1-3-5-7-9-11-13-14-12-10-8-6-4-2;1-3-5-7-9-11-13-12-10-8-6-4-2/h17-20,23,32-34H,8-9,11H2,1-7H3;16-18,21,30-32H,8-10H2,1-7H3;;/t17-,18-,19-,20-,23-;16-,17-,18-,21-;;/m00../s1
• InChIKey: ICLFVYVHVWADFQ-ILHLDZSTSA-N
• XLogP: 5.19
• TPSA: 230.58 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 21
• Rotatable Bonds: 8
• Heavy Atoms: 100
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1873.99
LogP ≤ 5	5.19
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of bis[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;(1R,2S,10R,12R,13S)-5,19-dihydroxy-10-(hydroxymethyl)-8,16,18-trimethoxy-6,7,17,21-tetramethyl-11,21-diazapentacyclo[11.7.1.02,11.04,9.015,20]henicosa-4,6,8,15(20),16,18-hexaene-12-carbonitrile;(1R,2S,10R,13S)-5,19-dihydroxy-10-(hydroxymethyl)-8,16,18-trimethoxy-6,7,17,21-tetramethyl-11,21-diazapentacyclo[11.7.1.02,11.04,9.015,20]henicosa-4,6,8,15(20),16,18-hexaen-12-one;sulfanylidene-[[[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane?

The IUPAC name of bis[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;(1R,2S,10R,12R,13S)-5,19-dihydroxy-10-(hydroxymethyl)-8,16,18-trimethoxy-6,7,17,21-tetramethyl-11,21-diazapentacyclo[11.7.1.02,11.04,9.015,20]henicosa-4,6,8,15(20),16,18-hexaene-12-carbonitrile;(1R,2S,10R,13S)-5,19-dihydroxy-10-(hydroxymethyl)-8,16,18-trimethoxy-6,7,17,21-tetramethyl-11,21-diazapentacyclo[11.7.1.02,11.04,9.015,20]henicosa-4,6,8,15(20),16,18-hexaen-12-one;sulfanylidene-[[[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane (CID 158658414) is bis[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;(1R,2S,10R,12R,13S)-5,19-dihydroxy-10-(hydroxymethyl)-8,16,18-trimethoxy-6,7,17,21-tetramethyl-11,21-diazapentacyclo[11.7.1.02,11.04,9.015,20]henicosa-4,6,8,15(20),16,18-hexaene-12-carbonitrile;(1R,2S,10R,13S)-5,19-dihydroxy-10-(hydroxymethyl)-8,16,18-trimethoxy-6,7,17,21-tetramethyl-11,21-diazapentacyclo[11.7.1.02,11.04,9.015,20]henicosa-4,6,8,15(20),16,18-hexaen-12-one;sulfanylidene-[[[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane.

What is the SMILES notation for bis[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;(1R,2S,10R,12R,13S)-5,19-dihydroxy-10-(hydroxymethyl)-8,16,18-trimethoxy-6,7,17,21-tetramethyl-11,21-diazapentacyclo[11.7.1.02,11.04,9.015,20]henicosa-4,6,8,15(20),16,18-hexaene-12-carbonitrile;(1R,2S,10R,13S)-5,19-dihydroxy-10-(hydroxymethyl)-8,16,18-trimethoxy-6,7,17,21-tetramethyl-11,21-diazapentacyclo[11.7.1.02,11.04,9.015,20]henicosa-4,6,8,15(20),16,18-hexaen-12-one;sulfanylidene-[[[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane?

The canonical SMILES for bis[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;(1R,2S,10R,12R,13S)-5,19-dihydroxy-10-(hydroxymethyl)-8,16,18-trimethoxy-6,7,17,21-tetramethyl-11,21-diazapentacyclo[11.7.1.02,11.04,9.015,20]henicosa-4,6,8,15(20),16,18-hexaene-12-carbonitrile;(1R,2S,10R,13S)-5,19-dihydroxy-10-(hydroxymethyl)-8,16,18-trimethoxy-6,7,17,21-tetramethyl-11,21-diazapentacyclo[11.7.1.02,11.04,9.015,20]henicosa-4,6,8,15(20),16,18-hexaen-12-one;sulfanylidene-[[[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane is COc1c(C)c(OC)c2c(c1O)[C@@H]1[C@@H]3Cc4c(O)c(C)c(C)c(OC)c4[C@H](CO)N3C(=O)[C@H](C2)N1C.COc1c(C)c(OC)c2c(c1O)[C@@H]1[C@@H]3Cc4c(O)c(C)c(C)c(OC)c4[C@H](CO)N3[C@@H](C#N)[C@H](C2)N1C.S=S=S=S=S=S=S=S=S=S=S=S=S.S=S=S=S=S=S=S=S=S=S=S=S=S=S.

What is the InChIKey of bis[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;(1R,2S,10R,12R,13S)-5,19-dihydroxy-10-(hydroxymethyl)-8,16,18-trimethoxy-6,7,17,21-tetramethyl-11,21-diazapentacyclo[11.7.1.02,11.04,9.015,20]henicosa-4,6,8,15(20),16,18-hexaene-12-carbonitrile;(1R,2S,10R,13S)-5,19-dihydroxy-10-(hydroxymethyl)-8,16,18-trimethoxy-6,7,17,21-tetramethyl-11,21-diazapentacyclo[11.7.1.02,11.04,9.015,20]henicosa-4,6,8,15(20),16,18-hexaen-12-one;sulfanylidene-[[[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane?

The InChIKey is ICLFVYVHVWADFQ-ILHLDZSTSA-N. The full InChI is InChI=1S/C28H35N3O6.C27H34N2O7.S14.S13/c1-12-13(2)27(36-6)21-15(24(12)33)8-18-23-22-16(26(35-5)14(3)28(37-7)25(22)34)9-17(30(23)4)19(10-29)31(18)20(21)11-32;1-11-12(2)25(35-6)19-14(22(11)31)8-16-21-20-15(24(34-5)13(3)26(36-7)23(20)32)9-17(28(21)4)27(33)29(16)18(19)10-30;1-3-5-7-9-11-13-14-12-10-8-6-4-2;1-3-5-7-9-11-13-12-10-8-6-4-2/h17-20,23,32-34H,8-9,11H2,1-7H3;16-18,21,30-32H,8-10H2,1-7H3;;/t17-,18-,19-,20-,23-;16-,17-,18-,21-;;/m00../s1.

What are the key properties of bis[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;(1R,2S,10R,12R,13S)-5,19-dihydroxy-10-(hydroxymethyl)-8,16,18-trimethoxy-6,7,17,21-tetramethyl-11,21-diazapentacyclo[11.7.1.02,11.04,9.015,20]henicosa-4,6,8,15(20),16,18-hexaene-12-carbonitrile;(1R,2S,10R,13S)-5,19-dihydroxy-10-(hydroxymethyl)-8,16,18-trimethoxy-6,7,17,21-tetramethyl-11,21-diazapentacyclo[11.7.1.02,11.04,9.015,20]henicosa-4,6,8,15(20),16,18-hexaen-12-one;sulfanylidene-[[[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane?

bis[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;(1R,2S,10R,12R,13S)-5,19-dihydroxy-10-(hydroxymethyl)-8,16,18-trimethoxy-6,7,17,21-tetramethyl-11,21-diazapentacyclo[11.7.1.02,11.04,9.015,20]henicosa-4,6,8,15(20),16,18-hexaene-12-carbonitrile;(1R,2S,10R,13S)-5,19-dihydroxy-10-(hydroxymethyl)-8,16,18-trimethoxy-6,7,17,21-tetramethyl-11,21-diazapentacyclo[11.7.1.02,11.04,9.015,20]henicosa-4,6,8,15(20),16,18-hexaen-12-one;sulfanylidene-[[[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane has a molecular weight of 1873.99 g/mol, XLogP of 5.19, 8 rotatable bonds, 6 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for bis[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;(1R,2S,10R,12R,13S)-5,19-dihydroxy-10-(hydroxymethyl)-8,16,18-trimethoxy-6,7,17,21-tetramethyl-11,21-diazapentacyclo[11.7.1.02,11.04,9.015,20]henicosa-4,6,8,15(20),16,18-hexaene-12-carbonitrile;(1R,2S,10R,13S)-5,19-dihydroxy-10-(hydroxymethyl)-8,16,18-trimethoxy-6,7,17,21-tetramethyl-11,21-diazapentacyclo[11.7.1.02,11.04,9.015,20]henicosa-4,6,8,15(20),16,18-hexaen-12-one;sulfanylidene-[[[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane is sourced from PubChem (CID 158658414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).