(6-acetyloxy-3,4,5-trimethyloxan-2-yl)methyl acetate;3-(aminoiodanuidylmethyl)-6-(hydroxymethyl)oxane-2,4,5-triol;benzoyl benzoate;5-[6-(benzoyloxymethyl)-3,4,5-trimethyloxan-2-yl]oxypentanoic acid;N,N-diethylethanamine;methanol;[6-(5-methoxy-5-oxopentoxy)-3,4,5-trimethyloxan-2-yl]methyl benzoate;methyl 5-[6-(acetyloxymethyl)-3,4,5-trimethyloxan-2-yl]oxypentanoate;methyl 5-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxypentanoate;methyl 5-hydroxypentanoate;oxan-2-one;(2,6,7-trimethyl-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]oxazol-5-yl)methyl acetate;trimethylsilyl trifluoromethanesulfonate

C142H234F3IN3O52SSi- — CID 159356800

About (6-acetyloxy-3,4,5-trimethyloxan-2-yl)methyl acetate;3-(aminoiodanuidylmethyl)-6-(hydroxymethyl)oxane-2,4,5-triol;benzoyl benzoate;5-[6-(benzoyloxymethyl)-3,4,5-trimethyloxan-2-yl]oxypentanoic acid;N,N-diethylethanamine;methanol;[6-(5-methoxy-5-oxopentoxy)-3,4,5-trimethyloxan-2-yl]methyl benzoate;methyl 5-[6-(acetyloxymethyl)-3,4,5-trimethyloxan-2-yl]oxypentanoate;methyl 5-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxypentanoate;methyl 5-hydroxypentanoate;oxan-2-one;(2,6,7-trimethyl-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]oxazol-5-yl)methyl acetate;trimethylsilyl trifluoromethanesulfonate

(6-acetyloxy-3,4,5-trimethyloxan-2-yl)methyl acetate;3-(aminoiodanuidylmethyl)-6-(hydroxymethyl)oxane-2,4,5-triol;benzoyl benzoate;5-[6-(benzoyloxymethyl)-3,4,5-trimethyloxan-2-yl]oxypentanoic acid;N,N-diethylethanamine;methanol;[6-(5-methoxy-5-oxopentoxy)-3,4,5-trimethyloxan-2-yl]methyl benzoate;methyl 5-[6-(acetyloxymethyl)-3,4,5-trimethyloxan-2-yl]oxypentanoate;methyl 5-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxypentanoate;methyl 5-hydroxypentanoate;oxan-2-one;(2,6,7-trimethyl-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]oxazol-5-yl)methyl acetate;trimethylsilyl trifluoromethanesulfonate (PubChem CID 159356800) has the molecular formula C142H234F3IN3O52SSi- and a molecular weight of 3059.45 g/mol. Its IUPAC name is (6-acetyloxy-3,4,5-trimethyloxan-2-yl)methyl acetate;3-(aminoiodanuidylmethyl)-6-(hydroxymethyl)oxane-2,4,5-triol;benzoyl benzoate;5-[6-(benzoyloxymethyl)-3,4,5-trimethyloxan-2-yl]oxypentanoic acid;N,N-diethylethanamine;methanol;[6-(5-methoxy-5-oxopentoxy)-3,4,5-trimethyloxan-2-yl]methyl benzoate;methyl 5-[6-(acetyloxymethyl)-3,4,5-trimethyloxan-2-yl]oxypentanoate;methyl 5-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxypentanoate;methyl 5-hydroxypentanoate;oxan-2-one;(2,6,7-trimethyl-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]oxazol-5-yl)methyl acetate;trimethylsilyl trifluoromethanesulfonate.

Molecular Properties

• Compound Name: (6-acetyloxy-3,4,5-trimethyloxan-2-yl)methyl acetate;3-(aminoiodanuidylmethyl)-6-(hydroxymethyl)oxane-2,4,5-triol;benzoyl benzoate;5-[6-(benzoyloxymethyl)-3,4,5-trimethyloxan-2-yl]oxypentanoic acid;N,N-diethylethanamine;methanol;[6-(5-methoxy-5-oxopentoxy)-3,4,5-trimethyloxan-2-yl]methyl benzoate;methyl 5-[6-(acetyloxymethyl)-3,4,5-trimethyloxan-2-yl]oxypentanoate;methyl 5-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxypentanoate;methyl 5-hydroxypentanoate;oxan-2-one;(2,6,7-trimethyl-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]oxazol-5-yl)methyl acetate;trimethylsilyl trifluoromethanesulfonate
• PubChem CID: 159356800
• Molecular Formula: C142H234F3IN3O52SSi-
• Molecular Weight: 3059.45 g/mol
• Exact Mass: 3057.43
• IUPAC Name: (6-acetyloxy-3,4,5-trimethyloxan-2-yl)methyl acetate;3-(aminoiodanuidylmethyl)-6-(hydroxymethyl)oxane-2,4,5-triol;benzoyl benzoate;5-[6-(benzoyloxymethyl)-3,4,5-trimethyloxan-2-yl]oxypentanoic acid;N,N-diethylethanamine;methanol;[6-(5-methoxy-5-oxopentoxy)-3,4,5-trimethyloxan-2-yl]methyl benzoate;methyl 5-[6-(acetyloxymethyl)-3,4,5-trimethyloxan-2-yl]oxypentanoate;methyl 5-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxypentanoate;methyl 5-hydroxypentanoate;oxan-2-one;(2,6,7-trimethyl-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]oxazol-5-yl)methyl acetate;trimethylsilyl trifluoromethanesulfonate
• SMILES: CC(=O)OCC1OC(OC(C)=O)C(C)C(C)C1C.CC(=O)OCC1OC2OC(C)=NC2C(C)C1C.CC1C(COC(=O)c2ccccc2)OC(OCCCCC(=O)O)C(C)C1C.CCN(CC)CC.CO.CO.COC(=O)CCCCO.COC(=O)CCCCOC1OC(CO)C(O)C(O)C1C.COC(=O)CCCCOC1OC(COC(=O)c2ccccc2)C(C)C(C)C1C.COC(=O)CCCCOC1OC(COC(C)=O)C(C)C(C)C1C.C[Si](C)(C)OS(=O)(=O)C(F)(F)F.N[I-]CC1C(O)OC(CO)C(O)C1O.O=C(OC(=O)c1ccccc1)c1ccccc1.O=C1CCCCO1
• InChI: InChI=1S/C22H32O6.C21H30O6.C17H30O6.C14H10O3.C13H24O7.C13H22O5.C12H19NO4.C7H15INO5.C6H15N.C6H12O3.C5H8O2.C4H9F3O3SSi.2CH4O/c1-15-16(2)19(14-27-21(24)18-10-6-5-7-11-18)28-22(17(15)3)26-13-9-8-12-20(23)25-4;1-14-15(2)18(13-26-20(24)17-9-5-4-6-10-17)27-21(16(14)3)25-12-8-7-11-19(22)23;1-11-12(2)15(10-22-14(4)18)23-17(13(11)3)21-9-7-6-8-16(19)20-5;15-13(11-7-3-1-4-8-11)17-14(16)12-9-5-2-6-10-12;1-8-11(16)12(17)9(7-14)20-13(8)19-6-4-3-5-10(15)18-2;1-7-8(2)12(6-16-10(4)14)18-13(9(7)3)17-11(5)15;1-6-7(2)11-12(16-8(3)13-11)17-10(6)5-15-9(4)14;9-8-1-3-5(11)6(12)4(2-10)14-7(3)13;1-4-7(5-2)6-3;1-9-6(8)4-2-3-5-7;6-5-3-1-2-4-7-5;1-12(2,3)10-11(8,9)4(5,6)7;2*1-2/h5-7,10-11,15-17,19,22H,8-9,12-14H2,1-4H3;4-6,9-10,14-16,18,21H,7-8,11-13H2,1-3H3,(H,22,23);11-13,15,17H,6-10H2,1-5H3;1-10H;8-9,11-14,16-17H,3-7H2,1-2H3;7-9,12-13H,6H2,1-5H3;6-7,10-12H,5H2,1-4H3;3-7,10-13H,1-2,9H2;4-6H2,1-3H3;7H,2-5H2,1H3;1-4H2;1-3H3;2*2H,1H3/q;;;;;;;-1
• InChIKey: WBOKWYFBHYHLDL-UHFFFAOYSA-N
• XLogP: 12.63
• TPSA: 768.02 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 54
• Rotatable Bonds: 52
• Heavy Atoms: 203
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3059.45
LogP ≤ 5	12.63
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	54

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (6-acetyloxy-3,4,5-trimethyloxan-2-yl)methyl acetate;3-(aminoiodanuidylmethyl)-6-(hydroxymethyl)oxane-2,4,5-triol;benzoyl benzoate;5-[6-(benzoyloxymethyl)-3,4,5-trimethyloxan-2-yl]oxypentanoic acid;N,N-diethylethanamine;methanol;[6-(5-methoxy-5-oxopentoxy)-3,4,5-trimethyloxan-2-yl]methyl benzoate;methyl 5-[6-(acetyloxymethyl)-3,4,5-trimethyloxan-2-yl]oxypentanoate;methyl 5-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxypentanoate;methyl 5-hydroxypentanoate;oxan-2-one;(2,6,7-trimethyl-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]oxazol-5-yl)methyl acetate;trimethylsilyl trifluoromethanesulfonate?

The IUPAC name of (6-acetyloxy-3,4,5-trimethyloxan-2-yl)methyl acetate;3-(aminoiodanuidylmethyl)-6-(hydroxymethyl)oxane-2,4,5-triol;benzoyl benzoate;5-[6-(benzoyloxymethyl)-3,4,5-trimethyloxan-2-yl]oxypentanoic acid;N,N-diethylethanamine;methanol;[6-(5-methoxy-5-oxopentoxy)-3,4,5-trimethyloxan-2-yl]methyl benzoate;methyl 5-[6-(acetyloxymethyl)-3,4,5-trimethyloxan-2-yl]oxypentanoate;methyl 5-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxypentanoate;methyl 5-hydroxypentanoate;oxan-2-one;(2,6,7-trimethyl-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]oxazol-5-yl)methyl acetate;trimethylsilyl trifluoromethanesulfonate (CID 159356800) is (6-acetyloxy-3,4,5-trimethyloxan-2-yl)methyl acetate;3-(aminoiodanuidylmethyl)-6-(hydroxymethyl)oxane-2,4,5-triol;benzoyl benzoate;5-[6-(benzoyloxymethyl)-3,4,5-trimethyloxan-2-yl]oxypentanoic acid;N,N-diethylethanamine;methanol;[6-(5-methoxy-5-oxopentoxy)-3,4,5-trimethyloxan-2-yl]methyl benzoate;methyl 5-[6-(acetyloxymethyl)-3,4,5-trimethyloxan-2-yl]oxypentanoate;methyl 5-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxypentanoate;methyl 5-hydroxypentanoate;oxan-2-one;(2,6,7-trimethyl-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]oxazol-5-yl)methyl acetate;trimethylsilyl trifluoromethanesulfonate.

What is the SMILES notation for (6-acetyloxy-3,4,5-trimethyloxan-2-yl)methyl acetate;3-(aminoiodanuidylmethyl)-6-(hydroxymethyl)oxane-2,4,5-triol;benzoyl benzoate;5-[6-(benzoyloxymethyl)-3,4,5-trimethyloxan-2-yl]oxypentanoic acid;N,N-diethylethanamine;methanol;[6-(5-methoxy-5-oxopentoxy)-3,4,5-trimethyloxan-2-yl]methyl benzoate;methyl 5-[6-(acetyloxymethyl)-3,4,5-trimethyloxan-2-yl]oxypentanoate;methyl 5-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxypentanoate;methyl 5-hydroxypentanoate;oxan-2-one;(2,6,7-trimethyl-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]oxazol-5-yl)methyl acetate;trimethylsilyl trifluoromethanesulfonate?

The canonical SMILES for (6-acetyloxy-3,4,5-trimethyloxan-2-yl)methyl acetate;3-(aminoiodanuidylmethyl)-6-(hydroxymethyl)oxane-2,4,5-triol;benzoyl benzoate;5-[6-(benzoyloxymethyl)-3,4,5-trimethyloxan-2-yl]oxypentanoic acid;N,N-diethylethanamine;methanol;[6-(5-methoxy-5-oxopentoxy)-3,4,5-trimethyloxan-2-yl]methyl benzoate;methyl 5-[6-(acetyloxymethyl)-3,4,5-trimethyloxan-2-yl]oxypentanoate;methyl 5-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxypentanoate;methyl 5-hydroxypentanoate;oxan-2-one;(2,6,7-trimethyl-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]oxazol-5-yl)methyl acetate;trimethylsilyl trifluoromethanesulfonate is CC(=O)OCC1OC(OC(C)=O)C(C)C(C)C1C.CC(=O)OCC1OC2OC(C)=NC2C(C)C1C.CC1C(COC(=O)c2ccccc2)OC(OCCCCC(=O)O)C(C)C1C.CCN(CC)CC.CO.CO.COC(=O)CCCCO.COC(=O)CCCCOC1OC(CO)C(O)C(O)C1C.COC(=O)CCCCOC1OC(COC(=O)c2ccccc2)C(C)C(C)C1C.COC(=O)CCCCOC1OC(COC(C)=O)C(C)C(C)C1C.C[Si](C)(C)OS(=O)(=O)C(F)(F)F.N[I-]CC1C(O)OC(CO)C(O)C1O.O=C(OC(=O)c1ccccc1)c1ccccc1.O=C1CCCCO1.

What is the InChIKey of (6-acetyloxy-3,4,5-trimethyloxan-2-yl)methyl acetate;3-(aminoiodanuidylmethyl)-6-(hydroxymethyl)oxane-2,4,5-triol;benzoyl benzoate;5-[6-(benzoyloxymethyl)-3,4,5-trimethyloxan-2-yl]oxypentanoic acid;N,N-diethylethanamine;methanol;[6-(5-methoxy-5-oxopentoxy)-3,4,5-trimethyloxan-2-yl]methyl benzoate;methyl 5-[6-(acetyloxymethyl)-3,4,5-trimethyloxan-2-yl]oxypentanoate;methyl 5-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxypentanoate;methyl 5-hydroxypentanoate;oxan-2-one;(2,6,7-trimethyl-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]oxazol-5-yl)methyl acetate;trimethylsilyl trifluoromethanesulfonate?

The InChIKey is WBOKWYFBHYHLDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32O6.C21H30O6.C17H30O6.C14H10O3.C13H24O7.C13H22O5.C12H19NO4.C7H15INO5.C6H15N.C6H12O3.C5H8O2.C4H9F3O3SSi.2CH4O/c1-15-16(2)19(14-27-21(24)18-10-6-5-7-11-18)28-22(17(15)3)26-13-9-8-12-20(23)25-4;1-14-15(2)18(13-26-20(24)17-9-5-4-6-10-17)27-21(16(14)3)25-12-8-7-11-19(22)23;1-11-12(2)15(10-22-14(4)18)23-17(13(11)3)21-9-7-6-8-16(19)20-5;15-13(11-7-3-1-4-8-11)17-14(16)12-9-5-2-6-10-12;1-8-11(16)12(17)9(7-14)20-13(8)19-6-4-3-5-10(15)18-2;1-7-8(2)12(6-16-10(4)14)18-13(9(7)3)17-11(5)15;1-6-7(2)11-12(16-8(3)13-11)17-10(6)5-15-9(4)14;9-8-1-3-5(11)6(12)4(2-10)14-7(3)13;1-4-7(5-2)6-3;1-9-6(8)4-2-3-5-7;6-5-3-1-2-4-7-5;1-12(2,3)10-11(8,9)4(5,6)7;2*1-2/h5-7,10-11,15-17,19,22H,8-9,12-14H2,1-4H3;4-6,9-10,14-16,18,21H,7-8,11-13H2,1-3H3,(H,22,23);11-13,15,17H,6-10H2,1-5H3;1-10H;8-9,11-14,16-17H,3-7H2,1-2H3;7-9,12-13H,6H2,1-5H3;6-7,10-12H,5H2,1-4H3;3-7,10-13H,1-2,9H2;4-6H2,1-3H3;7H,2-5H2,1H3;1-4H2;1-3H3;2*2H,1H3/q;;;;;;;-1;;;;;;.

What are the key properties of (6-acetyloxy-3,4,5-trimethyloxan-2-yl)methyl acetate;3-(aminoiodanuidylmethyl)-6-(hydroxymethyl)oxane-2,4,5-triol;benzoyl benzoate;5-[6-(benzoyloxymethyl)-3,4,5-trimethyloxan-2-yl]oxypentanoic acid;N,N-diethylethanamine;methanol;[6-(5-methoxy-5-oxopentoxy)-3,4,5-trimethyloxan-2-yl]methyl benzoate;methyl 5-[6-(acetyloxymethyl)-3,4,5-trimethyloxan-2-yl]oxypentanoate;methyl 5-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxypentanoate;methyl 5-hydroxypentanoate;oxan-2-one;(2,6,7-trimethyl-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]oxazol-5-yl)methyl acetate;trimethylsilyl trifluoromethanesulfonate?

(6-acetyloxy-3,4,5-trimethyloxan-2-yl)methyl acetate;3-(aminoiodanuidylmethyl)-6-(hydroxymethyl)oxane-2,4,5-triol;benzoyl benzoate;5-[6-(benzoyloxymethyl)-3,4,5-trimethyloxan-2-yl]oxypentanoic acid;N,N-diethylethanamine;methanol;[6-(5-methoxy-5-oxopentoxy)-3,4,5-trimethyloxan-2-yl]methyl benzoate;methyl 5-[6-(acetyloxymethyl)-3,4,5-trimethyloxan-2-yl]oxypentanoate;methyl 5-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxypentanoate;methyl 5-hydroxypentanoate;oxan-2-one;(2,6,7-trimethyl-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]oxazol-5-yl)methyl acetate;trimethylsilyl trifluoromethanesulfonate has a molecular weight of 3059.45 g/mol, XLogP of 12.63, 52 rotatable bonds, 12 hydrogen bond donors, and 54 hydrogen bond acceptors.

Where does this data come from?

All data for (6-acetyloxy-3,4,5-trimethyloxan-2-yl)methyl acetate;3-(aminoiodanuidylmethyl)-6-(hydroxymethyl)oxane-2,4,5-triol;benzoyl benzoate;5-[6-(benzoyloxymethyl)-3,4,5-trimethyloxan-2-yl]oxypentanoic acid;N,N-diethylethanamine;methanol;[6-(5-methoxy-5-oxopentoxy)-3,4,5-trimethyloxan-2-yl]methyl benzoate;methyl 5-[6-(acetyloxymethyl)-3,4,5-trimethyloxan-2-yl]oxypentanoate;methyl 5-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxypentanoate;methyl 5-hydroxypentanoate;oxan-2-one;(2,6,7-trimethyl-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]oxazol-5-yl)methyl acetate;trimethylsilyl trifluoromethanesulfonate is sourced from PubChem (CID 159356800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).