dichloromethane;ethoxyethane;methyl (2S,3S,4S,5R)-3,4,5,6-tetraacetyloxyoxane-2-carboxylate;methyl (2S,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-[[2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-[4-(2-piperidin-1-ylethoxy)benzoyl]-1-benzothiophen-6-yl]oxy]oxane-2-carboxylate;trifluoroborane

C67H89BCl2F3NO25SSi — CID 158881398

About dichloromethane;ethoxyethane;methyl (2S,3S,4S,5R)-3,4,5,6-tetraacetyloxyoxane-2-carboxylate;methyl (2S,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-[[2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-[4-(2-piperidin-1-ylethoxy)benzoyl]-1-benzothiophen-6-yl]oxy]oxane-2-carboxylate;trifluoroborane

dichloromethane;ethoxyethane;methyl (2S,3S,4S,5R)-3,4,5,6-tetraacetyloxyoxane-2-carboxylate;methyl (2S,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-[[2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-[4-(2-piperidin-1-ylethoxy)benzoyl]-1-benzothiophen-6-yl]oxy]oxane-2-carboxylate;trifluoroborane (PubChem CID 158881398) has the molecular formula C67H89BCl2F3NO25SSi and a molecular weight of 1507.30 g/mol. Its IUPAC name is dichloromethane;ethoxyethane;methyl (2S,3S,4S,5R)-3,4,5,6-tetraacetyloxyoxane-2-carboxylate;methyl (2S,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-[[2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-[4-(2-piperidin-1-ylethoxy)benzoyl]-1-benzothiophen-6-yl]oxy]oxane-2-carboxylate;trifluoroborane.

Molecular Properties

• Compound Name: dichloromethane;ethoxyethane;methyl (2S,3S,4S,5R)-3,4,5,6-tetraacetyloxyoxane-2-carboxylate;methyl (2S,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-[[2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-[4-(2-piperidin-1-ylethoxy)benzoyl]-1-benzothiophen-6-yl]oxy]oxane-2-carboxylate;trifluoroborane
• PubChem CID: 158881398
• Molecular Formula: C67H89BCl2F3NO25SSi
• Molecular Weight: 1507.30 g/mol
• Exact Mass: 1505.46
• IUPAC Name: dichloromethane;ethoxyethane;methyl (2S,3S,4S,5R)-3,4,5,6-tetraacetyloxyoxane-2-carboxylate;methyl (2S,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-[[2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-[4-(2-piperidin-1-ylethoxy)benzoyl]-1-benzothiophen-6-yl]oxy]oxane-2-carboxylate;trifluoroborane
• SMILES: CCOCC.COC(=O)[C@H]1OC(OC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O.COC(=O)[C@H]1O[C@@H](Oc2ccc3c(C(=O)c4ccc(OCCN5CCCCC5)cc4)c(-c4ccc(O[Si](C)(C)C(C)(C)C)cc4)sc3c2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O.ClCCl.FB(F)F
• InChI: InChI=1S/C47H57NO13SSi.C15H20O11.C4H10O.CH2Cl2.BF3/c1-28(49)56-40-41(57-29(2)50)43(58-30(3)51)46(60-42(40)45(53)54-7)59-35-21-22-36-37(27-35)62-44(32-15-19-34(20-16-32)61-63(8,9)47(4,5)6)38(36)39(52)31-13-17-33(18-14-31)55-26-25-48-23-11-10-12-24-48;1-6(16)22-10-11(23-7(2)17)13(24-8(3)18)15(25-9(4)19)26-12(10)14(20)21-5;1-3-5-4-2;2-1-3;2-1(3)4/h13-22,27,40-43,46H,10-12,23-26H2,1-9H3;10-13,15H,1-5H3;3-4H2,1-2H3;1H2;/t40-,41-,42-,43+,46+;10-,11-,12-,13+,15?;;;/m00.../s1
• InChIKey: JDBIJMODJKNBCQ-XDNOVIOYSA-N
• XLogP: 10.71
• TPSA: 312.39 Ų
• H-Bond Acceptors: 27
• Rotatable Bonds: 22
• Heavy Atoms: 101
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1507.30
LogP ≤ 5	10.71
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of dichloromethane;ethoxyethane;methyl (2S,3S,4S,5R)-3,4,5,6-tetraacetyloxyoxane-2-carboxylate;methyl (2S,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-[[2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-[4-(2-piperidin-1-ylethoxy)benzoyl]-1-benzothiophen-6-yl]oxy]oxane-2-carboxylate;trifluoroborane?

The IUPAC name of dichloromethane;ethoxyethane;methyl (2S,3S,4S,5R)-3,4,5,6-tetraacetyloxyoxane-2-carboxylate;methyl (2S,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-[[2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-[4-(2-piperidin-1-ylethoxy)benzoyl]-1-benzothiophen-6-yl]oxy]oxane-2-carboxylate;trifluoroborane (CID 158881398) is dichloromethane;ethoxyethane;methyl (2S,3S,4S,5R)-3,4,5,6-tetraacetyloxyoxane-2-carboxylate;methyl (2S,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-[[2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-[4-(2-piperidin-1-ylethoxy)benzoyl]-1-benzothiophen-6-yl]oxy]oxane-2-carboxylate;trifluoroborane.

What is the SMILES notation for dichloromethane;ethoxyethane;methyl (2S,3S,4S,5R)-3,4,5,6-tetraacetyloxyoxane-2-carboxylate;methyl (2S,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-[[2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-[4-(2-piperidin-1-ylethoxy)benzoyl]-1-benzothiophen-6-yl]oxy]oxane-2-carboxylate;trifluoroborane?

The canonical SMILES for dichloromethane;ethoxyethane;methyl (2S,3S,4S,5R)-3,4,5,6-tetraacetyloxyoxane-2-carboxylate;methyl (2S,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-[[2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-[4-(2-piperidin-1-ylethoxy)benzoyl]-1-benzothiophen-6-yl]oxy]oxane-2-carboxylate;trifluoroborane is CCOCC.COC(=O)[C@H]1OC(OC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O.COC(=O)[C@H]1O[C@@H](Oc2ccc3c(C(=O)c4ccc(OCCN5CCCCC5)cc4)c(-c4ccc(O[Si](C)(C)C(C)(C)C)cc4)sc3c2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O.ClCCl.FB(F)F.

What is the InChIKey of dichloromethane;ethoxyethane;methyl (2S,3S,4S,5R)-3,4,5,6-tetraacetyloxyoxane-2-carboxylate;methyl (2S,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-[[2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-[4-(2-piperidin-1-ylethoxy)benzoyl]-1-benzothiophen-6-yl]oxy]oxane-2-carboxylate;trifluoroborane?

The InChIKey is JDBIJMODJKNBCQ-XDNOVIOYSA-N. The full InChI is InChI=1S/C47H57NO13SSi.C15H20O11.C4H10O.CH2Cl2.BF3/c1-28(49)56-40-41(57-29(2)50)43(58-30(3)51)46(60-42(40)45(53)54-7)59-35-21-22-36-37(27-35)62-44(32-15-19-34(20-16-32)61-63(8,9)47(4,5)6)38(36)39(52)31-13-17-33(18-14-31)55-26-25-48-23-11-10-12-24-48;1-6(16)22-10-11(23-7(2)17)13(24-8(3)18)15(25-9(4)19)26-12(10)14(20)21-5;1-3-5-4-2;2-1-3;2-1(3)4/h13-22,27,40-43,46H,10-12,23-26H2,1-9H3;10-13,15H,1-5H3;3-4H2,1-2H3;1H2;/t40-,41-,42-,43+,46+;10-,11-,12-,13+,15?;;;/m00.../s1.

What are the key properties of dichloromethane;ethoxyethane;methyl (2S,3S,4S,5R)-3,4,5,6-tetraacetyloxyoxane-2-carboxylate;methyl (2S,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-[[2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-[4-(2-piperidin-1-ylethoxy)benzoyl]-1-benzothiophen-6-yl]oxy]oxane-2-carboxylate;trifluoroborane?

dichloromethane;ethoxyethane;methyl (2S,3S,4S,5R)-3,4,5,6-tetraacetyloxyoxane-2-carboxylate;methyl (2S,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-[[2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-[4-(2-piperidin-1-ylethoxy)benzoyl]-1-benzothiophen-6-yl]oxy]oxane-2-carboxylate;trifluoroborane has a molecular weight of 1507.30 g/mol, XLogP of 10.71, 22 rotatable bonds, 0 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for dichloromethane;ethoxyethane;methyl (2S,3S,4S,5R)-3,4,5,6-tetraacetyloxyoxane-2-carboxylate;methyl (2S,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-[[2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-[4-(2-piperidin-1-ylethoxy)benzoyl]-1-benzothiophen-6-yl]oxy]oxane-2-carboxylate;trifluoroborane is sourced from PubChem (CID 158881398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).