[(2R,4S,5R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-prop-2-enyloxan-3-yl]oxy-tert-butyl-dimethylsilane;ethoxyethane;[(3S,4S,6S)-3,4,5,6-tetraacetyloxyoxan-2-yl]methyl acetate;2-[(2R,4R,5S)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]acetic acid;bis([(3S,4R,6R)-3,4,5-triacetyloxy-6-prop-2-enyloxan-2-yl]methyl acetate);trifluoroborane;trimethyl(prop-2-enyl)silane

C109H188BF3O46Si5 — CID 159570043

IUPAC[(2R,4S,5R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-prop-2-enyloxan-3-yl]oxy-tert-butyl-dimethylsilane;ethoxyethane;[(3S,4S,6S)-3,4,5,6-tetraacetyloxyoxan-2-yl]methyl acetate;2-[(2R,4R,5S)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]acetic acid;bis([(3S,4R,6R)-3,4,5-triacetyloxy-6-prop-2-enyloxan-2-yl]methyl acetate);trifluoroborane;trimethyl(prop-2-enyl)silane
SMILESC=CC[C@H]1OC(COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)C1OC(C)=O.C=CC[C@H]1OC(COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)C1OC(C)=O.C=CC[C@H]1OC(CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C.C=CC[Si](C)(C)C.CC(=O)OCC1O[C@@H](OC(C)=O)C(OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O.CC(=O)OCC1O[C@H](CC(=O)O)C(OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O.CCOCC.FB(F)F
InChIInChI=1S/C33H72O5Si4.2C17H24O9.2C16H22O11.C6H14Si.C4H10O.BF3/c1-22-23-25-27(36-40(16,17)31(5,6)7)29(38-42(20,21)33(11,12)13)28(37-41(18,19)32(8,9)10)26(35-25)24-34-39(14,15)30(2,3)4;2*1-6-7-13-15(23-10(3)19)17(25-12(5)21)16(24-11(4)20)14(26-13)8-22-9(2)18;1-7(17)22-6-12-13(23-8(2)18)14(24-9(3)19)15(25-10(4)20)16(27-12)26-11(5)21;1-7(17)23-6-12-15(25-9(3)19)16(26-10(4)20)14(24-8(2)18)11(27-12)5-13(21)22;1-5-6-7(2,3)4;1-3-5-4-2;2-1(3)4/h22,25-29H,1,23-24H2,2-21H3;2*6,13-17H,1,7-8H2,2-5H3;12-16H,6H2,1-5H3;11-12,14-16H,5-6H2,1-4H3,(H,21,22);5H,1,6H2,2-4H3;3-4H2,1-2H3;/t25-,26?,27?,28-,29+;2*13-,14?,15?,16+,17-;12?,13-,14-,15?,16+;11-,12?,14?,15+,16-;;;/m11101.../s1
InChIKeyMHRSSDJISXSGBK-WCHZUELFSA-N
MW2442.89 g/mol
LogP15.55
Rot. Bonds42

About [(2R,4S,5R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-prop-2-enyloxan-3-yl]oxy-tert-butyl-dimethylsilane;ethoxyethane;[(3S,4S,6S)-3,4,5,6-tetraacetyloxyoxan-2-yl]methyl acetate;2-[(2R,4R,5S)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]acetic acid;bis([(3S,4R,6R)-3,4,5-triacetyloxy-6-prop-2-enyloxan-2-yl]methyl acetate);trifluoroborane;trimethyl(prop-2-enyl)silane

[(2R,4S,5R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-prop-2-enyloxan-3-yl]oxy-tert-butyl-dimethylsilane;ethoxyethane;[(3S,4S,6S)-3,4,5,6-tetraacetyloxyoxan-2-yl]methyl acetate;2-[(2R,4R,5S)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]acetic acid;bis([(3S,4R,6R)-3,4,5-triacetyloxy-6-prop-2-enyloxan-2-yl]methyl acetate);trifluoroborane;trimethyl(prop-2-enyl)silane (PubChem CID 159570043) has the molecular formula C109H188BF3O46Si5 and a molecular weight of 2442.89 g/mol. Its IUPAC name is [(2R,4S,5R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-prop-2-enyloxan-3-yl]oxy-tert-butyl-dimethylsilane;ethoxyethane;[(3S,4S,6S)-3,4,5,6-tetraacetyloxyoxan-2-yl]methyl acetate;2-[(2R,4R,5S)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]acetic acid;bis([(3S,4R,6R)-3,4,5-triacetyloxy-6-prop-2-enyloxan-2-yl]methyl acetate);trifluoroborane;trimethyl(prop-2-enyl)silane.

Molecular Properties

Compound Name[(2R,4S,5R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-prop-2-enyloxan-3-yl]oxy-tert-butyl-dimethylsilane;ethoxyethane;[(3S,4S,6S)-3,4,5,6-tetraacetyloxyoxan-2-yl]methyl acetate;2-[(2R,4R,5S)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]acetic acid;bis([(3S,4R,6R)-3,4,5-triacetyloxy-6-prop-2-enyloxan-2-yl]methyl acetate);trifluoroborane;trimethyl(prop-2-enyl)silane
PubChem CID159570043
Molecular FormulaC109H188BF3O46Si5
Molecular Weight2442.89 g/mol
Exact Mass2441.13
IUPAC Name[(2R,4S,5R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-prop-2-enyloxan-3-yl]oxy-tert-butyl-dimethylsilane;ethoxyethane;[(3S,4S,6S)-3,4,5,6-tetraacetyloxyoxan-2-yl]methyl acetate;2-[(2R,4R,5S)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]acetic acid;bis([(3S,4R,6R)-3,4,5-triacetyloxy-6-prop-2-enyloxan-2-yl]methyl acetate);trifluoroborane;trimethyl(prop-2-enyl)silane
SMILESC=CC[C@H]1OC(COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)C1OC(C)=O.C=CC[C@H]1OC(COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)C1OC(C)=O.C=CC[C@H]1OC(CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C.C=CC[Si](C)(C)C.CC(=O)OCC1O[C@@H](OC(C)=O)C(OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O.CC(=O)OCC1O[C@H](CC(=O)O)C(OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O.CCOCC.FB(F)F
InChIInChI=1S/C33H72O5Si4.2C17H24O9.2C16H22O11.C6H14Si.C4H10O.BF3/c1-22-23-25-27(36-40(16,17)31(5,6)7)29(38-42(20,21)33(11,12)13)28(37-41(18,19)32(8,9)10)26(35-25)24-34-39(14,15)30(2,3)4;2*1-6-7-13-15(23-10(3)19)17(25-12(5)21)16(24-11(4)20)14(26-13)8-22-9(2)18;1-7(17)22-6-12-13(23-8(2)18)14(24-9(3)19)15(25-10(4)20)16(27-12)26-11(5)21;1-7(17)23-6-12-15(25-9(3)19)16(26-10(4)20)14(24-8(2)18)11(27-12)5-13(21)22;1-5-6-7(2,3)4;1-3-5-4-2;2-1(3)4/h22,25-29H,1,23-24H2,2-21H3;2*6,13-17H,1,7-8H2,2-5H3;12-16H,6H2,1-5H3;11-12,14-16H,5-6H2,1-4H3,(H,21,22);5H,1,6H2,2-4H3;3-4H2,1-2H3;/t25-,26?,27?,28-,29+;2*13-,14?,15?,16+,17-;12?,13-,14-,15?,16+;11-,12?,14?,15+,16-;;;/m11101.../s1
InChIKeyMHRSSDJISXSGBK-WCHZUELFSA-N
XLogP15.55
TPSA576.70 Ų
H-Bond Donors1
H-Bond Acceptors45
Rotatable Bonds42
Heavy Atoms164
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002442.89
LogP ≤ 515.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1045

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze [(2R,4S,5R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-prop-2-enyloxan-3-yl]oxy-tert-butyl-dimethylsilane;ethoxyethane;[(3S,4S,6S)-3,4,5,6-tetraacetyloxyoxan-2-yl]methyl acetate;2-[(2R,4R,5S)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]acetic acid;bis([(3S,4R,6R)-3,4,5-triacetyloxy-6-prop-2-enyloxan-2-yl]methyl acetate);trifluoroborane;trimethyl(prop-2-enyl)silane with MolForge

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Related Compounds

[(2R,4R,5R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-prop-2-enyloxan-3-yl]oxy-tert-butyl-dimethylsilane
CID 140547133
but-3-en-1-ol;ethoxyethane;[(3R,4S,6S)-3,4,5,6-tetraacetyloxyoxan-2-yl]methyl acetate;[(3R,4S,6R)-3,4,5-triacetyloxy-6-but-3-enoxyoxan-2-yl]methyl acetate;[(3R,4S,6R)-3,4,5-triacetyloxy-6-pentoxyoxan-2-yl]methyl acetate;trifluoroborane
CID 91030286
[(2R,3R,4S,5S)-3,4-diacetyloxy-5-[[(2R,3R,4S,5S)-5-(2-aminoethoxy)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]oxolan-2-yl]methoxy]oxolan-2-yl]methyl acetate
CID 101195978
2-[(2R,3S,4R,5S,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]acetic acid
CID 11269290
2-[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]acetic acid
CID 22498105
[(2R,3R,4R)-3-acetyloxy-4-[[(2S,3S,4R,5S,6R)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-2-yl]methyl]-3,4-dihydro-2H-pyran-2-yl]methyl acetate
CID 101370422
[(2R,3R,4R,5S,6S)-3,4,5-triacetyloxy-6-[[(2R,3R,4R,5R,6S)-3,4,5,6-tetraacetyloxyoxan-2-yl]methoxy]oxan-2-yl]methyl acetate
CID 162998935
[(2R,3R,4S,5R,6S)-3,4,5,6-tetraacetyloxyoxan-2-yl]methyl acetate
CID 2724702
[(3R,4R,6S)-3,4,5,6-tetraacetyloxyoxan-2-yl]methyl acetate
CID 121321079
[(3R,5R)-3,4,5,6-tetraacetyloxyoxan-2-yl]methyl acetate
CID 66625316
[(3S,4R)-3,4,5,6-tetraacetyloxyoxan-2-yl]methyl acetate
CID 59256922
[(3S,4S,6S)-3,4,5,6-tetraacetyloxyoxan-2-yl]methyl acetate
CID 53487899

Frequently Asked Questions

What is the IUPAC name of [(2R,4S,5R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-prop-2-enyloxan-3-yl]oxy-tert-butyl-dimethylsilane;ethoxyethane;[(3S,4S,6S)-3,4,5,6-tetraacetyloxyoxan-2-yl]methyl acetate;2-[(2R,4R,5S)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]acetic acid;bis([(3S,4R,6R)-3,4,5-triacetyloxy-6-prop-2-enyloxan-2-yl]methyl acetate);trifluoroborane;trimethyl(prop-2-enyl)silane?
The IUPAC name of [(2R,4S,5R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-prop-2-enyloxan-3-yl]oxy-tert-butyl-dimethylsilane;ethoxyethane;[(3S,4S,6S)-3,4,5,6-tetraacetyloxyoxan-2-yl]methyl acetate;2-[(2R,4R,5S)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]acetic acid;bis([(3S,4R,6R)-3,4,5-triacetyloxy-6-prop-2-enyloxan-2-yl]methyl acetate);trifluoroborane;trimethyl(prop-2-enyl)silane (CID 159570043) is [(2R,4S,5R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-prop-2-enyloxan-3-yl]oxy-tert-butyl-dimethylsilane;ethoxyethane;[(3S,4S,6S)-3,4,5,6-tetraacetyloxyoxan-2-yl]methyl acetate;2-[(2R,4R,5S)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]acetic acid;bis([(3S,4R,6R)-3,4,5-triacetyloxy-6-prop-2-enyloxan-2-yl]methyl acetate);trifluoroborane;trimethyl(prop-2-enyl)silane.
What is the SMILES notation for [(2R,4S,5R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-prop-2-enyloxan-3-yl]oxy-tert-butyl-dimethylsilane;ethoxyethane;[(3S,4S,6S)-3,4,5,6-tetraacetyloxyoxan-2-yl]methyl acetate;2-[(2R,4R,5S)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]acetic acid;bis([(3S,4R,6R)-3,4,5-triacetyloxy-6-prop-2-enyloxan-2-yl]methyl acetate);trifluoroborane;trimethyl(prop-2-enyl)silane?
The canonical SMILES for [(2R,4S,5R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-prop-2-enyloxan-3-yl]oxy-tert-butyl-dimethylsilane;ethoxyethane;[(3S,4S,6S)-3,4,5,6-tetraacetyloxyoxan-2-yl]methyl acetate;2-[(2R,4R,5S)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]acetic acid;bis([(3S,4R,6R)-3,4,5-triacetyloxy-6-prop-2-enyloxan-2-yl]methyl acetate);trifluoroborane;trimethyl(prop-2-enyl)silane is C=CC[C@H]1OC(COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)C1OC(C)=O.C=CC[C@H]1OC(COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)C1OC(C)=O.C=CC[C@H]1OC(CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C.C=CC[Si](C)(C)C.CC(=O)OCC1O[C@@H](OC(C)=O)C(OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O.CC(=O)OCC1O[C@H](CC(=O)O)C(OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O.CCOCC.FB(F)F.
What is the InChIKey of [(2R,4S,5R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-prop-2-enyloxan-3-yl]oxy-tert-butyl-dimethylsilane;ethoxyethane;[(3S,4S,6S)-3,4,5,6-tetraacetyloxyoxan-2-yl]methyl acetate;2-[(2R,4R,5S)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]acetic acid;bis([(3S,4R,6R)-3,4,5-triacetyloxy-6-prop-2-enyloxan-2-yl]methyl acetate);trifluoroborane;trimethyl(prop-2-enyl)silane?
The InChIKey is MHRSSDJISXSGBK-WCHZUELFSA-N. The full InChI is InChI=1S/C33H72O5Si4.2C17H24O9.2C16H22O11.C6H14Si.C4H10O.BF3/c1-22-23-25-27(36-40(16,17)31(5,6)7)29(38-42(20,21)33(11,12)13)28(37-41(18,19)32(8,9)10)26(35-25)24-34-39(14,15)30(2,3)4;2*1-6-7-13-15(23-10(3)19)17(25-12(5)21)16(24-11(4)20)14(26-13)8-22-9(2)18;1-7(17)22-6-12-13(23-8(2)18)14(24-9(3)19)15(25-10(4)20)16(27-12)26-11(5)21;1-7(17)23-6-12-15(25-9(3)19)16(26-10(4)20)14(24-8(2)18)11(27-12)5-13(21)22;1-5-6-7(2,3)4;1-3-5-4-2;2-1(3)4/h22,25-29H,1,23-24H2,2-21H3;2*6,13-17H,1,7-8H2,2-5H3;12-16H,6H2,1-5H3;11-12,14-16H,5-6H2,1-4H3,(H,21,22);5H,1,6H2,2-4H3;3-4H2,1-2H3;/t25-,26?,27?,28-,29+;2*13-,14?,15?,16+,17-;12?,13-,14-,15?,16+;11-,12?,14?,15+,16-;;;/m11101.../s1.
What are the key properties of [(2R,4S,5R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-prop-2-enyloxan-3-yl]oxy-tert-butyl-dimethylsilane;ethoxyethane;[(3S,4S,6S)-3,4,5,6-tetraacetyloxyoxan-2-yl]methyl acetate;2-[(2R,4R,5S)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]acetic acid;bis([(3S,4R,6R)-3,4,5-triacetyloxy-6-prop-2-enyloxan-2-yl]methyl acetate);trifluoroborane;trimethyl(prop-2-enyl)silane?
[(2R,4S,5R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-prop-2-enyloxan-3-yl]oxy-tert-butyl-dimethylsilane;ethoxyethane;[(3S,4S,6S)-3,4,5,6-tetraacetyloxyoxan-2-yl]methyl acetate;2-[(2R,4R,5S)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]acetic acid;bis([(3S,4R,6R)-3,4,5-triacetyloxy-6-prop-2-enyloxan-2-yl]methyl acetate);trifluoroborane;trimethyl(prop-2-enyl)silane has a molecular weight of 2442.89 g/mol, XLogP of 15.55, 42 rotatable bonds, 1 hydrogen bond donors, and 45 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,4S,5R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-prop-2-enyloxan-3-yl]oxy-tert-butyl-dimethylsilane;ethoxyethane;[(3S,4S,6S)-3,4,5,6-tetraacetyloxyoxan-2-yl]methyl acetate;2-[(2R,4R,5S)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]acetic acid;bis([(3S,4R,6R)-3,4,5-triacetyloxy-6-prop-2-enyloxan-2-yl]methyl acetate);trifluoroborane;trimethyl(prop-2-enyl)silane is sourced from PubChem (CID 159570043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).