sodium;N-[(4aR,6S,7R,8R,8aS)-2,2-dimethyl-8-nonoxy-6-prop-2-enoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]-2,2,2-trifluoroacetamide;N-[(4aR,6S,7R,8R,8aS)-8-hydroxy-2,2-dimethyl-6-prop-2-enoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]-2,2,2-trifluoroacetamide;decyl methanesulfonate;hydride

C48H83F6N2NaO15S — CID 158790086

About sodium;N-[(4aR,6S,7R,8R,8aS)-2,2-dimethyl-8-nonoxy-6-prop-2-enoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]-2,2,2-trifluoroacetamide;N-[(4aR,6S,7R,8R,8aS)-8-hydroxy-2,2-dimethyl-6-prop-2-enoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]-2,2,2-trifluoroacetamide;decyl methanesulfonate;hydride

sodium;N-[(4aR,6S,7R,8R,8aS)-2,2-dimethyl-8-nonoxy-6-prop-2-enoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]-2,2,2-trifluoroacetamide;N-[(4aR,6S,7R,8R,8aS)-8-hydroxy-2,2-dimethyl-6-prop-2-enoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]-2,2,2-trifluoroacetamide;decyl methanesulfonate;hydride (PubChem CID 158790086) has the molecular formula C48H83F6N2NaO15S and a molecular weight of 1097.24 g/mol. Its IUPAC name is sodium;N-[(4aR,6S,7R,8R,8aS)-2,2-dimethyl-8-nonoxy-6-prop-2-enoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]-2,2,2-trifluoroacetamide;N-[(4aR,6S,7R,8R,8aS)-8-hydroxy-2,2-dimethyl-6-prop-2-enoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]-2,2,2-trifluoroacetamide;decyl methanesulfonate;hydride.

Molecular Properties

• Compound Name: sodium;N-[(4aR,6S,7R,8R,8aS)-2,2-dimethyl-8-nonoxy-6-prop-2-enoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]-2,2,2-trifluoroacetamide;N-[(4aR,6S,7R,8R,8aS)-8-hydroxy-2,2-dimethyl-6-prop-2-enoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]-2,2,2-trifluoroacetamide;decyl methanesulfonate;hydride
• PubChem CID: 158790086
• Molecular Formula: C48H83F6N2NaO15S
• Molecular Weight: 1097.24 g/mol
• Exact Mass: 1096.53
• IUPAC Name: sodium;N-[(4aR,6S,7R,8R,8aS)-2,2-dimethyl-8-nonoxy-6-prop-2-enoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]-2,2,2-trifluoroacetamide;N-[(4aR,6S,7R,8R,8aS)-8-hydroxy-2,2-dimethyl-6-prop-2-enoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]-2,2,2-trifluoroacetamide;decyl methanesulfonate;hydride
• SMILES: C=CCO[C@H]1O[C@@H]2COC(C)(C)O[C@H]2[C@H](O)[C@H]1NC(=O)C(F)(F)F.C=CCO[C@H]1O[C@@H]2COC(C)(C)O[C@H]2[C@H](OCCCCCCCCC)[C@H]1NC(=O)C(F)(F)F.CCCCCCCCCCOS(C)(=O)=O.[H-].[Na+]
• InChI: InChI=1S/C23H38F3NO6.C14H20F3NO6.C11H24O3S.Na.H/c1-5-7-8-9-10-11-12-14-29-19-17(27-21(28)23(24,25)26)20(30-13-6-2)32-16-15-31-22(3,4)33-18(16)19;1-4-5-21-11-8(18-12(20)14(15,16)17)9(19)10-7(23-11)6-22-13(2,3)24-10;1-3-4-5-6-7-8-9-10-11-14-15(2,12)13;;/h6,16-20H,2,5,7-15H2,1,3-4H3,(H,27,28);4,7-11,19H,1,5-6H2,2-3H3,(H,18,20);3-11H2,1-2H3;;/q;;;+1;-1/t16-,17-,18-,19-,20+;7-,8-,9-,10-,11+;;;/m11.../s1
• InChIKey: OGXYYLSFKWRUQG-YTCQVNKKSA-N
• XLogP: 4.94
• TPSA: 204.87 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 15
• Rotatable Bonds: 27
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1097.24
LogP ≤ 5	4.94
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of sodium;N-[(4aR,6S,7R,8R,8aS)-2,2-dimethyl-8-nonoxy-6-prop-2-enoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]-2,2,2-trifluoroacetamide;N-[(4aR,6S,7R,8R,8aS)-8-hydroxy-2,2-dimethyl-6-prop-2-enoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]-2,2,2-trifluoroacetamide;decyl methanesulfonate;hydride?

The IUPAC name of sodium;N-[(4aR,6S,7R,8R,8aS)-2,2-dimethyl-8-nonoxy-6-prop-2-enoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]-2,2,2-trifluoroacetamide;N-[(4aR,6S,7R,8R,8aS)-8-hydroxy-2,2-dimethyl-6-prop-2-enoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]-2,2,2-trifluoroacetamide;decyl methanesulfonate;hydride (CID 158790086) is sodium;N-[(4aR,6S,7R,8R,8aS)-2,2-dimethyl-8-nonoxy-6-prop-2-enoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]-2,2,2-trifluoroacetamide;N-[(4aR,6S,7R,8R,8aS)-8-hydroxy-2,2-dimethyl-6-prop-2-enoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]-2,2,2-trifluoroacetamide;decyl methanesulfonate;hydride.

What is the SMILES notation for sodium;N-[(4aR,6S,7R,8R,8aS)-2,2-dimethyl-8-nonoxy-6-prop-2-enoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]-2,2,2-trifluoroacetamide;N-[(4aR,6S,7R,8R,8aS)-8-hydroxy-2,2-dimethyl-6-prop-2-enoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]-2,2,2-trifluoroacetamide;decyl methanesulfonate;hydride?

The canonical SMILES for sodium;N-[(4aR,6S,7R,8R,8aS)-2,2-dimethyl-8-nonoxy-6-prop-2-enoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]-2,2,2-trifluoroacetamide;N-[(4aR,6S,7R,8R,8aS)-8-hydroxy-2,2-dimethyl-6-prop-2-enoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]-2,2,2-trifluoroacetamide;decyl methanesulfonate;hydride is C=CCO[C@H]1O[C@@H]2COC(C)(C)O[C@H]2[C@H](O)[C@H]1NC(=O)C(F)(F)F.C=CCO[C@H]1O[C@@H]2COC(C)(C)O[C@H]2[C@H](OCCCCCCCCC)[C@H]1NC(=O)C(F)(F)F.CCCCCCCCCCOS(C)(=O)=O.[H-].[Na+].

What is the InChIKey of sodium;N-[(4aR,6S,7R,8R,8aS)-2,2-dimethyl-8-nonoxy-6-prop-2-enoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]-2,2,2-trifluoroacetamide;N-[(4aR,6S,7R,8R,8aS)-8-hydroxy-2,2-dimethyl-6-prop-2-enoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]-2,2,2-trifluoroacetamide;decyl methanesulfonate;hydride?

The InChIKey is OGXYYLSFKWRUQG-YTCQVNKKSA-N. The full InChI is InChI=1S/C23H38F3NO6.C14H20F3NO6.C11H24O3S.Na.H/c1-5-7-8-9-10-11-12-14-29-19-17(27-21(28)23(24,25)26)20(30-13-6-2)32-16-15-31-22(3,4)33-18(16)19;1-4-5-21-11-8(18-12(20)14(15,16)17)9(19)10-7(23-11)6-22-13(2,3)24-10;1-3-4-5-6-7-8-9-10-11-14-15(2,12)13;;/h6,16-20H,2,5,7-15H2,1,3-4H3,(H,27,28);4,7-11,19H,1,5-6H2,2-3H3,(H,18,20);3-11H2,1-2H3;;/q;;;+1;-1/t16-,17-,18-,19-,20+;7-,8-,9-,10-,11+;;;/m11.../s1.

What are the key properties of sodium;N-[(4aR,6S,7R,8R,8aS)-2,2-dimethyl-8-nonoxy-6-prop-2-enoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]-2,2,2-trifluoroacetamide;N-[(4aR,6S,7R,8R,8aS)-8-hydroxy-2,2-dimethyl-6-prop-2-enoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]-2,2,2-trifluoroacetamide;decyl methanesulfonate;hydride?

sodium;N-[(4aR,6S,7R,8R,8aS)-2,2-dimethyl-8-nonoxy-6-prop-2-enoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]-2,2,2-trifluoroacetamide;N-[(4aR,6S,7R,8R,8aS)-8-hydroxy-2,2-dimethyl-6-prop-2-enoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]-2,2,2-trifluoroacetamide;decyl methanesulfonate;hydride has a molecular weight of 1097.24 g/mol, XLogP of 4.94, 27 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;N-[(4aR,6S,7R,8R,8aS)-2,2-dimethyl-8-nonoxy-6-prop-2-enoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]-2,2,2-trifluoroacetamide;N-[(4aR,6S,7R,8R,8aS)-8-hydroxy-2,2-dimethyl-6-prop-2-enoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]-2,2,2-trifluoroacetamide;decyl methanesulfonate;hydride is sourced from PubChem (CID 158790086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).