bis(trifluoromethylsulfonyloxy)tin;ethanol;3-[1-hydroxy-3-(oxiran-2-ylmethoxy)propan-2-yl]oxypropane-1,2-diol;oxiran-2-ylmethanol

C16H30F6O15S2Sn — CID 158894636

About bis(trifluoromethylsulfonyloxy)tin;ethanol;3-[1-hydroxy-3-(oxiran-2-ylmethoxy)propan-2-yl]oxypropane-1,2-diol;oxiran-2-ylmethanol

bis(trifluoromethylsulfonyloxy)tin;ethanol;3-[1-hydroxy-3-(oxiran-2-ylmethoxy)propan-2-yl]oxypropane-1,2-diol;oxiran-2-ylmethanol (PubChem CID 158894636) has the molecular formula C16H30F6O15S2Sn and a molecular weight of 759.23 g/mol. Its IUPAC name is bis(trifluoromethylsulfonyloxy)tin;ethanol;3-[1-hydroxy-3-(oxiran-2-ylmethoxy)propan-2-yl]oxypropane-1,2-diol;oxiran-2-ylmethanol.

Molecular Properties

• Compound Name: bis(trifluoromethylsulfonyloxy)tin;ethanol;3-[1-hydroxy-3-(oxiran-2-ylmethoxy)propan-2-yl]oxypropane-1,2-diol;oxiran-2-ylmethanol
• PubChem CID: 158894636
• Molecular Formula: C16H30F6O15S2Sn
• Molecular Weight: 759.23 g/mol
• Exact Mass: 760.00
• IUPAC Name: bis(trifluoromethylsulfonyloxy)tin;ethanol;3-[1-hydroxy-3-(oxiran-2-ylmethoxy)propan-2-yl]oxypropane-1,2-diol;oxiran-2-ylmethanol
• SMILES: CCO.O=S(=O)(O[Sn]OS(=O)(=O)C(F)(F)F)C(F)(F)F.OCC(O)COC(CO)COCC1CO1.OCC1CO1
• InChI: InChI=1S/C9H18O6.C3H6O2.C2H6O.2CHF3O3S.Sn/c10-1-7(12)3-14-8(2-11)4-13-5-9-6-15-9;4-1-3-2-5-3;1-2-3;2*2-1(3,4)8(5,6)7;/h7-12H,1-6H2;3-4H,1-2H2;3H,2H2,1H3;2*(H,5,6,7);/q;;;;;+2/p-2
• InChIKey: JERIJCCEFPBNOP-UHFFFAOYSA-L
• XLogP: -2.24
• TPSA: 231.41 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 15
• Rotatable Bonds: 14
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	759.23
LogP ≤ 5	-2.24
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of bis(trifluoromethylsulfonyloxy)tin;ethanol;3-[1-hydroxy-3-(oxiran-2-ylmethoxy)propan-2-yl]oxypropane-1,2-diol;oxiran-2-ylmethanol?

The IUPAC name of bis(trifluoromethylsulfonyloxy)tin;ethanol;3-[1-hydroxy-3-(oxiran-2-ylmethoxy)propan-2-yl]oxypropane-1,2-diol;oxiran-2-ylmethanol (CID 158894636) is bis(trifluoromethylsulfonyloxy)tin;ethanol;3-[1-hydroxy-3-(oxiran-2-ylmethoxy)propan-2-yl]oxypropane-1,2-diol;oxiran-2-ylmethanol.

What is the SMILES notation for bis(trifluoromethylsulfonyloxy)tin;ethanol;3-[1-hydroxy-3-(oxiran-2-ylmethoxy)propan-2-yl]oxypropane-1,2-diol;oxiran-2-ylmethanol?

The canonical SMILES for bis(trifluoromethylsulfonyloxy)tin;ethanol;3-[1-hydroxy-3-(oxiran-2-ylmethoxy)propan-2-yl]oxypropane-1,2-diol;oxiran-2-ylmethanol is CCO.O=S(=O)(O[Sn]OS(=O)(=O)C(F)(F)F)C(F)(F)F.OCC(O)COC(CO)COCC1CO1.OCC1CO1.

What is the InChIKey of bis(trifluoromethylsulfonyloxy)tin;ethanol;3-[1-hydroxy-3-(oxiran-2-ylmethoxy)propan-2-yl]oxypropane-1,2-diol;oxiran-2-ylmethanol?

The InChIKey is JERIJCCEFPBNOP-UHFFFAOYSA-L. The full InChI is InChI=1S/C9H18O6.C3H6O2.C2H6O.2CHF3O3S.Sn/c10-1-7(12)3-14-8(2-11)4-13-5-9-6-15-9;4-1-3-2-5-3;1-2-3;2*2-1(3,4)8(5,6)7;/h7-12H,1-6H2;3-4H,1-2H2;3H,2H2,1H3;2*(H,5,6,7);/q;;;;;+2/p-2.

What are the key properties of bis(trifluoromethylsulfonyloxy)tin;ethanol;3-[1-hydroxy-3-(oxiran-2-ylmethoxy)propan-2-yl]oxypropane-1,2-diol;oxiran-2-ylmethanol?

bis(trifluoromethylsulfonyloxy)tin;ethanol;3-[1-hydroxy-3-(oxiran-2-ylmethoxy)propan-2-yl]oxypropane-1,2-diol;oxiran-2-ylmethanol has a molecular weight of 759.23 g/mol, XLogP of -2.24, 14 rotatable bonds, 5 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for bis(trifluoromethylsulfonyloxy)tin;ethanol;3-[1-hydroxy-3-(oxiran-2-ylmethoxy)propan-2-yl]oxypropane-1,2-diol;oxiran-2-ylmethanol is sourced from PubChem (CID 158894636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).