methyl 2-[(2R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[(2R,4R,6R)-4-[tert-butyl(diphenyl)silyl]oxy-6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]oxan-2-yl]methyl]-3,6-dihydro-2H-pyran-6-yl]acetate

C41H62O8Si2 — CID 139116012

IUPACmethyl 2-[(2R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[(2R,4R,6R)-4-[tert-butyl(diphenyl)silyl]oxy-6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]oxan-2-yl]methyl]-3,6-dihydro-2H-pyran-6-yl]acetate
SMILESCOC(=O)C[C@@H]1C=C(O[Si](C)(C)C(C)(C)C)C[C@@H](C[C@@H]2C[C@@H](O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)C[C@H]([C@@H]3COC(C)(C)O3)O2)O1
InChIInChI=1S/C41H62O8Si2/c1-39(2,3)50(10,11)48-32-23-29(45-31(25-32)27-38(42)43-9)22-30-24-33(26-36(46-30)37-28-44-41(7,8)47-37)49-51(40(4,5)6,34-18-14-12-15-19-34)35-20-16-13-17-21-35/h12-21,25,29-31,33,36-37H,22-24,26-28H2,1-11H3/t29-,30-,31+,33-,36-,37+/m1/s1
InChIKeyQEUQICREKKFACR-IJLARWTASA-N
MW739.11 g/mol
LogP7.65
Rot. Bonds11

About methyl 2-[(2R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[(2R,4R,6R)-4-[tert-butyl(diphenyl)silyl]oxy-6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]oxan-2-yl]methyl]-3,6-dihydro-2H-pyran-6-yl]acetate

methyl 2-[(2R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[(2R,4R,6R)-4-[tert-butyl(diphenyl)silyl]oxy-6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]oxan-2-yl]methyl]-3,6-dihydro-2H-pyran-6-yl]acetate (PubChem CID 139116012) has the molecular formula C41H62O8Si2 and a molecular weight of 739.11 g/mol. Its IUPAC name is methyl 2-[(2R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[(2R,4R,6R)-4-[tert-butyl(diphenyl)silyl]oxy-6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]oxan-2-yl]methyl]-3,6-dihydro-2H-pyran-6-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[(2R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[(2R,4R,6R)-4-[tert-butyl(diphenyl)silyl]oxy-6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]oxan-2-yl]methyl]-3,6-dihydro-2H-pyran-6-yl]acetate
PubChem CID139116012
Molecular FormulaC41H62O8Si2
Molecular Weight739.11 g/mol
Exact Mass738.40
IUPAC Namemethyl 2-[(2R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[(2R,4R,6R)-4-[tert-butyl(diphenyl)silyl]oxy-6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]oxan-2-yl]methyl]-3,6-dihydro-2H-pyran-6-yl]acetate
SMILESCOC(=O)C[C@@H]1C=C(O[Si](C)(C)C(C)(C)C)C[C@@H](C[C@@H]2C[C@@H](O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)C[C@H]([C@@H]3COC(C)(C)O3)O2)O1
InChIInChI=1S/C41H62O8Si2/c1-39(2,3)50(10,11)48-32-23-29(45-31(25-32)27-38(42)43-9)22-30-24-33(26-36(46-30)37-28-44-41(7,8)47-37)49-51(40(4,5)6,34-18-14-12-15-19-34)35-20-16-13-17-21-35/h12-21,25,29-31,33,36-37H,22-24,26-28H2,1-11H3/t29-,30-,31+,33-,36-,37+/m1/s1
InChIKeyQEUQICREKKFACR-IJLARWTASA-N
XLogP7.65
TPSA81.68 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500739.11
LogP ≤ 57.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze methyl 2-[(2R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[(2R,4R,6R)-4-[tert-butyl(diphenyl)silyl]oxy-6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]oxan-2-yl]methyl]-3,6-dihydro-2H-pyran-6-yl]acetate 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 methyl 2-[(2R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[(2R,4R,6R)-4-[tert-butyl(diphenyl)silyl]oxy-6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]oxan-2-yl]methyl]-3,6-dihydro-2H-pyran-6-yl]acetate?
The IUPAC name of methyl 2-[(2R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[(2R,4R,6R)-4-[tert-butyl(diphenyl)silyl]oxy-6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]oxan-2-yl]methyl]-3,6-dihydro-2H-pyran-6-yl]acetate (CID 139116012) is methyl 2-[(2R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[(2R,4R,6R)-4-[tert-butyl(diphenyl)silyl]oxy-6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]oxan-2-yl]methyl]-3,6-dihydro-2H-pyran-6-yl]acetate.
What is the SMILES notation for methyl 2-[(2R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[(2R,4R,6R)-4-[tert-butyl(diphenyl)silyl]oxy-6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]oxan-2-yl]methyl]-3,6-dihydro-2H-pyran-6-yl]acetate?
The canonical SMILES for methyl 2-[(2R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[(2R,4R,6R)-4-[tert-butyl(diphenyl)silyl]oxy-6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]oxan-2-yl]methyl]-3,6-dihydro-2H-pyran-6-yl]acetate is COC(=O)C[C@@H]1C=C(O[Si](C)(C)C(C)(C)C)C[C@@H](C[C@@H]2C[C@@H](O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)C[C@H]([C@@H]3COC(C)(C)O3)O2)O1.
What is the InChIKey of methyl 2-[(2R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[(2R,4R,6R)-4-[tert-butyl(diphenyl)silyl]oxy-6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]oxan-2-yl]methyl]-3,6-dihydro-2H-pyran-6-yl]acetate?
The InChIKey is QEUQICREKKFACR-IJLARWTASA-N. The full InChI is InChI=1S/C41H62O8Si2/c1-39(2,3)50(10,11)48-32-23-29(45-31(25-32)27-38(42)43-9)22-30-24-33(26-36(46-30)37-28-44-41(7,8)47-37)49-51(40(4,5)6,34-18-14-12-15-19-34)35-20-16-13-17-21-35/h12-21,25,29-31,33,36-37H,22-24,26-28H2,1-11H3/t29-,30-,31+,33-,36-,37+/m1/s1.
What are the key properties of methyl 2-[(2R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[(2R,4R,6R)-4-[tert-butyl(diphenyl)silyl]oxy-6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]oxan-2-yl]methyl]-3,6-dihydro-2H-pyran-6-yl]acetate?
methyl 2-[(2R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[(2R,4R,6R)-4-[tert-butyl(diphenyl)silyl]oxy-6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]oxan-2-yl]methyl]-3,6-dihydro-2H-pyran-6-yl]acetate has a molecular weight of 739.11 g/mol, XLogP of 7.65, 11 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[(2R,4R,6R)-4-[tert-butyl(diphenyl)silyl]oxy-6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]oxan-2-yl]methyl]-3,6-dihydro-2H-pyran-6-yl]acetate is sourced from PubChem (CID 139116012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).