methyl (2S,3S,4S,5R,6S)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]-6-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methoxyphenoxy]oxane-2-carboxylate

C39H76O9Si4 — CID 68982674

IUPACmethyl (2S,3S,4S,5R,6S)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]-6-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methoxyphenoxy]oxane-2-carboxylate
SMILESCOC(=O)[C@H]1O[C@@H](Oc2ccc(CO[Si](C)(C)C(C)(C)C)cc2OC)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C39H76O9Si4/c1-36(2,3)49(15,16)43-26-27-23-24-28(29(25-27)41-13)44-35-33(48-52(21,22)39(10,11)12)31(47-51(19,20)38(7,8)9)30(32(45-35)34(40)42-14)46-50(17,18)37(4,5)6/h23-25,30-33,35H,26H2,1-22H3/t30-,31+,32+,33-,35-/m1/s1
InChIKeyJMRGACPFUHOJEI-ATFNGGABSA-N
MW801.37 g/mol
LogP10.66
Rot. Bonds13

About methyl (2S,3S,4S,5R,6S)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]-6-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methoxyphenoxy]oxane-2-carboxylate

methyl (2S,3S,4S,5R,6S)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]-6-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methoxyphenoxy]oxane-2-carboxylate (PubChem CID 68982674) has the molecular formula C39H76O9Si4 and a molecular weight of 801.37 g/mol. Its IUPAC name is methyl (2S,3S,4S,5R,6S)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]-6-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methoxyphenoxy]oxane-2-carboxylate.

Molecular Properties

Compound Namemethyl (2S,3S,4S,5R,6S)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]-6-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methoxyphenoxy]oxane-2-carboxylate
PubChem CID68982674
Molecular FormulaC39H76O9Si4
Molecular Weight801.37 g/mol
Exact Mass800.46
IUPAC Namemethyl (2S,3S,4S,5R,6S)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]-6-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methoxyphenoxy]oxane-2-carboxylate
SMILESCOC(=O)[C@H]1O[C@@H](Oc2ccc(CO[Si](C)(C)C(C)(C)C)cc2OC)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C39H76O9Si4/c1-36(2,3)49(15,16)43-26-27-23-24-28(29(25-27)41-13)44-35-33(48-52(21,22)39(10,11)12)31(47-51(19,20)38(7,8)9)30(32(45-35)34(40)42-14)46-50(17,18)37(4,5)6/h23-25,30-33,35H,26H2,1-22H3/t30-,31+,32+,33-,35-/m1/s1
InChIKeyJMRGACPFUHOJEI-ATFNGGABSA-N
XLogP10.66
TPSA90.91 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds13
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500801.37
LogP ≤ 510.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze methyl (2S,3S,4S,5R,6S)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]-6-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methoxyphenoxy]oxane-2-carboxylate 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 (2S,3S,4S,5R,6S)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]-6-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methoxyphenoxy]oxane-2-carboxylate?
The IUPAC name of methyl (2S,3S,4S,5R,6S)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]-6-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methoxyphenoxy]oxane-2-carboxylate (CID 68982674) is methyl (2S,3S,4S,5R,6S)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]-6-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methoxyphenoxy]oxane-2-carboxylate.
What is the SMILES notation for methyl (2S,3S,4S,5R,6S)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]-6-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methoxyphenoxy]oxane-2-carboxylate?
The canonical SMILES for methyl (2S,3S,4S,5R,6S)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]-6-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methoxyphenoxy]oxane-2-carboxylate is COC(=O)[C@H]1O[C@@H](Oc2ccc(CO[Si](C)(C)C(C)(C)C)cc2OC)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of methyl (2S,3S,4S,5R,6S)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]-6-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methoxyphenoxy]oxane-2-carboxylate?
The InChIKey is JMRGACPFUHOJEI-ATFNGGABSA-N. The full InChI is InChI=1S/C39H76O9Si4/c1-36(2,3)49(15,16)43-26-27-23-24-28(29(25-27)41-13)44-35-33(48-52(21,22)39(10,11)12)31(47-51(19,20)38(7,8)9)30(32(45-35)34(40)42-14)46-50(17,18)37(4,5)6/h23-25,30-33,35H,26H2,1-22H3/t30-,31+,32+,33-,35-/m1/s1.
What are the key properties of methyl (2S,3S,4S,5R,6S)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]-6-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methoxyphenoxy]oxane-2-carboxylate?
methyl (2S,3S,4S,5R,6S)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]-6-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methoxyphenoxy]oxane-2-carboxylate has a molecular weight of 801.37 g/mol, XLogP of 10.66, 13 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S,3S,4S,5R,6S)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]-6-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methoxyphenoxy]oxane-2-carboxylate is sourced from PubChem (CID 68982674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).