bis(trifluoromethylsulfonyloxy)tin;ethanol;[3-hydroxy-4-[2-hydroxy-3-[1-hydroxy-3-(oxiran-2-ylmethoxy)propan-2-yl]oxypropoxy]butyl] pent-4-enoate;2-(oxiran-2-yl)ethyl pent-4-enoate;oxiran-2-ylmethanol

C34H58F6O21S2Sn — CID 161270816

IUPACbis(trifluoromethylsulfonyloxy)tin;ethanol;[3-hydroxy-4-[2-hydroxy-3-[1-hydroxy-3-(oxiran-2-ylmethoxy)propan-2-yl]oxypropoxy]butyl] pent-4-enoate;2-(oxiran-2-yl)ethyl pent-4-enoate;oxiran-2-ylmethanol
SMILESC=CCCC(=O)OCCC(O)COCC(O)COC(CO)COCC1CO1.C=CCCC(=O)OCCC1CO1.CCO.O=S(=O)(O[Sn]OS(=O)(=O)C(F)(F)F)C(F)(F)F.OCC1CO1
InChIInChI=1S/C18H32O9.C9H14O3.C3H6O2.C2H6O.2CHF3O3S.Sn/c1-2-3-4-18(22)25-6-5-14(20)8-23-9-15(21)10-26-16(7-19)11-24-12-17-13-27-17;1-2-3-4-9(10)11-6-5-8-7-12-8;4-1-3-2-5-3;1-2-3;2*2-1(3,4)8(5,6)7;/h2,14-17,19-21H,1,3-13H2;2,8H,1,3-7H2;3-4H,1-2H2;3H,2H2,1H3;2*(H,5,6,7);/q;;;;;;+2/p-2
InChIKeyVDUDAVAAOJKGGP-UHFFFAOYSA-L
MW1099.65 g/mol
LogP0.33
Rot. Bonds29

About bis(trifluoromethylsulfonyloxy)tin;ethanol;[3-hydroxy-4-[2-hydroxy-3-[1-hydroxy-3-(oxiran-2-ylmethoxy)propan-2-yl]oxypropoxy]butyl] pent-4-enoate;2-(oxiran-2-yl)ethyl pent-4-enoate;oxiran-2-ylmethanol

bis(trifluoromethylsulfonyloxy)tin;ethanol;[3-hydroxy-4-[2-hydroxy-3-[1-hydroxy-3-(oxiran-2-ylmethoxy)propan-2-yl]oxypropoxy]butyl] pent-4-enoate;2-(oxiran-2-yl)ethyl pent-4-enoate;oxiran-2-ylmethanol (PubChem CID 161270816) has the molecular formula C34H58F6O21S2Sn and a molecular weight of 1099.65 g/mol. Its IUPAC name is bis(trifluoromethylsulfonyloxy)tin;ethanol;[3-hydroxy-4-[2-hydroxy-3-[1-hydroxy-3-(oxiran-2-ylmethoxy)propan-2-yl]oxypropoxy]butyl] pent-4-enoate;2-(oxiran-2-yl)ethyl pent-4-enoate;oxiran-2-ylmethanol.

Molecular Properties

Compound Namebis(trifluoromethylsulfonyloxy)tin;ethanol;[3-hydroxy-4-[2-hydroxy-3-[1-hydroxy-3-(oxiran-2-ylmethoxy)propan-2-yl]oxypropoxy]butyl] pent-4-enoate;2-(oxiran-2-yl)ethyl pent-4-enoate;oxiran-2-ylmethanol
PubChem CID161270816
Molecular FormulaC34H58F6O21S2Sn
Molecular Weight1099.65 g/mol
Exact Mass1100.18
IUPAC Namebis(trifluoromethylsulfonyloxy)tin;ethanol;[3-hydroxy-4-[2-hydroxy-3-[1-hydroxy-3-(oxiran-2-ylmethoxy)propan-2-yl]oxypropoxy]butyl] pent-4-enoate;2-(oxiran-2-yl)ethyl pent-4-enoate;oxiran-2-ylmethanol
SMILESC=CCCC(=O)OCCC(O)COCC(O)COC(CO)COCC1CO1.C=CCCC(=O)OCCC1CO1.CCO.O=S(=O)(O[Sn]OS(=O)(=O)C(F)(F)F)C(F)(F)F.OCC1CO1
InChIInChI=1S/C18H32O9.C9H14O3.C3H6O2.C2H6O.2CHF3O3S.Sn/c1-2-3-4-18(22)25-6-5-14(20)8-23-9-15(21)10-26-16(7-19)11-24-12-17-13-27-17;1-2-3-4-9(10)11-6-5-8-7-12-8;4-1-3-2-5-3;1-2-3;2*2-1(3,4)8(5,6)7;/h2,14-17,19-21H,1,3-13H2;2,8H,1,3-7H2;3-4H,1-2H2;3H,2H2,1H3;2*(H,5,6,7);/q;;;;;;+2/p-2
InChIKeyVDUDAVAAOJKGGP-UHFFFAOYSA-L
XLogP0.33
TPSA305.77 Ų
H-Bond Donors5
H-Bond Acceptors21
Rotatable Bonds29
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001099.65
LogP ≤ 50.33
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

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

Analyze bis(trifluoromethylsulfonyloxy)tin;ethanol;[3-hydroxy-4-[2-hydroxy-3-[1-hydroxy-3-(oxiran-2-ylmethoxy)propan-2-yl]oxypropoxy]butyl] pent-4-enoate;2-(oxiran-2-yl)ethyl pent-4-enoate;oxiran-2-ylmethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of bis(trifluoromethylsulfonyloxy)tin;ethanol;[3-hydroxy-4-[2-hydroxy-3-[1-hydroxy-3-(oxiran-2-ylmethoxy)propan-2-yl]oxypropoxy]butyl] pent-4-enoate;2-(oxiran-2-yl)ethyl pent-4-enoate;oxiran-2-ylmethanol?
The IUPAC name of bis(trifluoromethylsulfonyloxy)tin;ethanol;[3-hydroxy-4-[2-hydroxy-3-[1-hydroxy-3-(oxiran-2-ylmethoxy)propan-2-yl]oxypropoxy]butyl] pent-4-enoate;2-(oxiran-2-yl)ethyl pent-4-enoate;oxiran-2-ylmethanol (CID 161270816) is bis(trifluoromethylsulfonyloxy)tin;ethanol;[3-hydroxy-4-[2-hydroxy-3-[1-hydroxy-3-(oxiran-2-ylmethoxy)propan-2-yl]oxypropoxy]butyl] pent-4-enoate;2-(oxiran-2-yl)ethyl pent-4-enoate;oxiran-2-ylmethanol.
What is the SMILES notation for bis(trifluoromethylsulfonyloxy)tin;ethanol;[3-hydroxy-4-[2-hydroxy-3-[1-hydroxy-3-(oxiran-2-ylmethoxy)propan-2-yl]oxypropoxy]butyl] pent-4-enoate;2-(oxiran-2-yl)ethyl pent-4-enoate;oxiran-2-ylmethanol?
The canonical SMILES for bis(trifluoromethylsulfonyloxy)tin;ethanol;[3-hydroxy-4-[2-hydroxy-3-[1-hydroxy-3-(oxiran-2-ylmethoxy)propan-2-yl]oxypropoxy]butyl] pent-4-enoate;2-(oxiran-2-yl)ethyl pent-4-enoate;oxiran-2-ylmethanol is C=CCCC(=O)OCCC(O)COCC(O)COC(CO)COCC1CO1.C=CCCC(=O)OCCC1CO1.CCO.O=S(=O)(O[Sn]OS(=O)(=O)C(F)(F)F)C(F)(F)F.OCC1CO1.
What is the InChIKey of bis(trifluoromethylsulfonyloxy)tin;ethanol;[3-hydroxy-4-[2-hydroxy-3-[1-hydroxy-3-(oxiran-2-ylmethoxy)propan-2-yl]oxypropoxy]butyl] pent-4-enoate;2-(oxiran-2-yl)ethyl pent-4-enoate;oxiran-2-ylmethanol?
The InChIKey is VDUDAVAAOJKGGP-UHFFFAOYSA-L. The full InChI is InChI=1S/C18H32O9.C9H14O3.C3H6O2.C2H6O.2CHF3O3S.Sn/c1-2-3-4-18(22)25-6-5-14(20)8-23-9-15(21)10-26-16(7-19)11-24-12-17-13-27-17;1-2-3-4-9(10)11-6-5-8-7-12-8;4-1-3-2-5-3;1-2-3;2*2-1(3,4)8(5,6)7;/h2,14-17,19-21H,1,3-13H2;2,8H,1,3-7H2;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-hydroxy-4-[2-hydroxy-3-[1-hydroxy-3-(oxiran-2-ylmethoxy)propan-2-yl]oxypropoxy]butyl] pent-4-enoate;2-(oxiran-2-yl)ethyl pent-4-enoate;oxiran-2-ylmethanol?
bis(trifluoromethylsulfonyloxy)tin;ethanol;[3-hydroxy-4-[2-hydroxy-3-[1-hydroxy-3-(oxiran-2-ylmethoxy)propan-2-yl]oxypropoxy]butyl] pent-4-enoate;2-(oxiran-2-yl)ethyl pent-4-enoate;oxiran-2-ylmethanol has a molecular weight of 1099.65 g/mol, XLogP of 0.33, 29 rotatable bonds, 5 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for bis(trifluoromethylsulfonyloxy)tin;ethanol;[3-hydroxy-4-[2-hydroxy-3-[1-hydroxy-3-(oxiran-2-ylmethoxy)propan-2-yl]oxypropoxy]butyl] pent-4-enoate;2-(oxiran-2-yl)ethyl pent-4-enoate;oxiran-2-ylmethanol is sourced from PubChem (CID 161270816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).