[(2R,3R,4R,5S,6R)-6-[(S)-[(2R,4S,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[4-[tert-butyl(diphenyl)silyl]oxybutyl]-2-methoxy-5-methyloxan-2-yl]-triethylsilyloxymethyl]-5-methyl-3,4-bis(triethylsilyloxy)oxan-2-yl]methyl 2,2-dimethylpropanoate

C64H118O10Si5 — CID 11309325

IUPAC[(2R,3R,4R,5S,6R)-6-[(S)-[(2R,4S,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[4-[tert-butyl(diphenyl)silyl]oxybutyl]-2-methoxy-5-methyloxan-2-yl]-triethylsilyloxymethyl]-5-methyl-3,4-bis(triethylsilyloxy)oxan-2-yl]methyl 2,2-dimethylpropanoate
SMILESCC[Si](CC)(CC)O[C@H]1[C@H](O[Si](CC)(CC)CC)C(C)[C@H]([C@H](O[Si](CC)(CC)CC)[C@@]2(OC)C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)[C@@H](CCCCO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)O2)O[C@@H]1COC(=O)C(C)(C)C
InChIInChI=1S/C64H118O10Si5/c1-24-76(25-2,26-3)72-56-50(11)57(69-55(48-67-60(65)61(12,13)14)58(56)73-77(27-4,28-5)29-6)59(74-78(30-7,31-8)32-9)64(66-21)47-54(71-75(22,23)62(15,16)17)49(10)53(70-64)45-39-40-46-68-79(63(18,19)20,51-41-35-33-36-42-51)52-43-37-34-38-44-52/h33-38,41-44,49-50,53-59H,24-32,39-40,45-48H2,1-23H3/t49-,50?,53+,54-,55+,56+,57+,58+,59-,64+/m0/s1
InChIKeyYZEGIARIENZESC-YQAYHKFASA-N
MW1188.07 g/mol
LogP16.06
Rot. Bonds30

About [(2R,3R,4R,5S,6R)-6-[(S)-[(2R,4S,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[4-[tert-butyl(diphenyl)silyl]oxybutyl]-2-methoxy-5-methyloxan-2-yl]-triethylsilyloxymethyl]-5-methyl-3,4-bis(triethylsilyloxy)oxan-2-yl]methyl 2,2-dimethylpropanoate

[(2R,3R,4R,5S,6R)-6-[(S)-[(2R,4S,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[4-[tert-butyl(diphenyl)silyl]oxybutyl]-2-methoxy-5-methyloxan-2-yl]-triethylsilyloxymethyl]-5-methyl-3,4-bis(triethylsilyloxy)oxan-2-yl]methyl 2,2-dimethylpropanoate (PubChem CID 11309325) has the molecular formula C64H118O10Si5 and a molecular weight of 1188.07 g/mol. Its IUPAC name is [(2R,3R,4R,5S,6R)-6-[(S)-[(2R,4S,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[4-[tert-butyl(diphenyl)silyl]oxybutyl]-2-methoxy-5-methyloxan-2-yl]-triethylsilyloxymethyl]-5-methyl-3,4-bis(triethylsilyloxy)oxan-2-yl]methyl 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[(2R,3R,4R,5S,6R)-6-[(S)-[(2R,4S,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[4-[tert-butyl(diphenyl)silyl]oxybutyl]-2-methoxy-5-methyloxan-2-yl]-triethylsilyloxymethyl]-5-methyl-3,4-bis(triethylsilyloxy)oxan-2-yl]methyl 2,2-dimethylpropanoate
PubChem CID11309325
Molecular FormulaC64H118O10Si5
Molecular Weight1188.07 g/mol
Exact Mass1186.76
IUPAC Name[(2R,3R,4R,5S,6R)-6-[(S)-[(2R,4S,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[4-[tert-butyl(diphenyl)silyl]oxybutyl]-2-methoxy-5-methyloxan-2-yl]-triethylsilyloxymethyl]-5-methyl-3,4-bis(triethylsilyloxy)oxan-2-yl]methyl 2,2-dimethylpropanoate
SMILESCC[Si](CC)(CC)O[C@H]1[C@H](O[Si](CC)(CC)CC)C(C)[C@H]([C@H](O[Si](CC)(CC)CC)[C@@]2(OC)C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)[C@@H](CCCCO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)O2)O[C@@H]1COC(=O)C(C)(C)C
InChIInChI=1S/C64H118O10Si5/c1-24-76(25-2,26-3)72-56-50(11)57(69-55(48-67-60(65)61(12,13)14)58(56)73-77(27-4,28-5)29-6)59(74-78(30-7,31-8)32-9)64(66-21)47-54(71-75(22,23)62(15,16)17)49(10)53(70-64)45-39-40-46-68-79(63(18,19)20,51-41-35-33-36-42-51)52-43-37-34-38-44-52/h33-38,41-44,49-50,53-59H,24-32,39-40,45-48H2,1-23H3/t49-,50?,53+,54-,55+,56+,57+,58+,59-,64+/m0/s1
InChIKeyYZEGIARIENZESC-YQAYHKFASA-N
XLogP16.06
TPSA100.14 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds30
Heavy Atoms79
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001188.07
LogP ≤ 516.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze [(2R,3R,4R,5S,6R)-6-[(S)-[(2R,4S,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[4-[tert-butyl(diphenyl)silyl]oxybutyl]-2-methoxy-5-methyloxan-2-yl]-triethylsilyloxymethyl]-5-methyl-3,4-bis(triethylsilyloxy)oxan-2-yl]methyl 2,2-dimethylpropanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl-[[(2S,3S,6R,11R)-3,11-dimethyl-1,7-dioxaspiro[5.5]undecan-2-yl]methoxy]-diphenylsilane
CID 10321645
tert-butyl-[(4R)-4-[(2S,3S,6R,8S,9R)-3,9-dimethyl-8-[(3S)-3-methylpent-4-enyl]-1,7-dioxaspiro[5.5]undecan-2-yl]pentoxy]-diphenylsilane
CID 10054152
3-[(2R,3S,6S,8S)-8-[(3S)-4-[tert-butyl(diphenyl)silyl]oxy-3-methylbutyl]-3-methyl-1,7-dioxaspiro[5.5]undecan-2-yl]propan-1-ol
CID 11555801
(2R,3S)-4-[(2R,4R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(methoxymethoxy)-3,3-dimethyloxan-2-yl]-2-methyl-3-triethylsilyloxybutanal
CID 16070251
2-[(2R,6S)-6-[(2S,4S)-5-[(2R,3S,6R,8R,9S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methoxy-9-methyl-1,7-dioxaspiro[5.5]undec-10-en-8-yl]-2,4-dihydroxypentyl]oxan-2-yl]ethyl 2,2-dimethylpropanoate
CID 17747601
[6-(6-Allyl-4-methoxymethoxy-tetrahydro-pyran-2-yl)-3-methoxy-5-methyl-1-propyl-hexyloxy]-tert-butyl-diphenyl-silane
CID 46844933
(1S,3R,5R,7R,9S,13S,14S,15S)-9-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methoxy-5,8,8,14-tetramethyl-15-tri(propan-2-yl)silyloxy-10,17,18-trioxatricyclo[11.3.1.13,7]octadecane-4,11-dione
CID 60153050
[(1R,3S,5R,7S)-1-[[(2R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(4S)-2,2-diethyl-1,3-dioxolan-4-yl]-3,6-dihydro-2H-pyran-6-yl]methyl]-3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-8,8-dimethyl-2,9-dioxabicyclo[3.3.1]nonan-7-yl] acetate
CID 101360097
CID 101396473
CID 101396473
tert-butyl-[(3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-[(4S,6R)-2,2,6-trimethyl-1,3-dioxepan-4-yl]propoxy]-diphenylsilane
CID 102202168
4-(4-t-butyldiphenylsilyloxy-2-butoxy)butyl 2-O-(2,3,4,6-tetra-O-acetyl-beta-d-mannopyranosyl)-3,4,6-tri-O-acetyl-beta-d-mannopyranoside
CID 129877956
ethyl (1S,2R,5S,6S)-4-[tert-butyl(diphenyl)silyl]oxy-5-(2,2-dimethyl-1,3-dioxan-5-yl)-6-ethenyl-2-methylcyclohex-3-ene-1-carboxylate
CID 132576246

Frequently Asked Questions

What is the IUPAC name of [(2R,3R,4R,5S,6R)-6-[(S)-[(2R,4S,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[4-[tert-butyl(diphenyl)silyl]oxybutyl]-2-methoxy-5-methyloxan-2-yl]-triethylsilyloxymethyl]-5-methyl-3,4-bis(triethylsilyloxy)oxan-2-yl]methyl 2,2-dimethylpropanoate?
The IUPAC name of [(2R,3R,4R,5S,6R)-6-[(S)-[(2R,4S,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[4-[tert-butyl(diphenyl)silyl]oxybutyl]-2-methoxy-5-methyloxan-2-yl]-triethylsilyloxymethyl]-5-methyl-3,4-bis(triethylsilyloxy)oxan-2-yl]methyl 2,2-dimethylpropanoate (CID 11309325) is [(2R,3R,4R,5S,6R)-6-[(S)-[(2R,4S,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[4-[tert-butyl(diphenyl)silyl]oxybutyl]-2-methoxy-5-methyloxan-2-yl]-triethylsilyloxymethyl]-5-methyl-3,4-bis(triethylsilyloxy)oxan-2-yl]methyl 2,2-dimethylpropanoate.
What is the SMILES notation for [(2R,3R,4R,5S,6R)-6-[(S)-[(2R,4S,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[4-[tert-butyl(diphenyl)silyl]oxybutyl]-2-methoxy-5-methyloxan-2-yl]-triethylsilyloxymethyl]-5-methyl-3,4-bis(triethylsilyloxy)oxan-2-yl]methyl 2,2-dimethylpropanoate?
The canonical SMILES for [(2R,3R,4R,5S,6R)-6-[(S)-[(2R,4S,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[4-[tert-butyl(diphenyl)silyl]oxybutyl]-2-methoxy-5-methyloxan-2-yl]-triethylsilyloxymethyl]-5-methyl-3,4-bis(triethylsilyloxy)oxan-2-yl]methyl 2,2-dimethylpropanoate is CC[Si](CC)(CC)O[C@H]1[C@H](O[Si](CC)(CC)CC)C(C)[C@H]([C@H](O[Si](CC)(CC)CC)[C@@]2(OC)C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)[C@@H](CCCCO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)O2)O[C@@H]1COC(=O)C(C)(C)C.
What is the InChIKey of [(2R,3R,4R,5S,6R)-6-[(S)-[(2R,4S,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[4-[tert-butyl(diphenyl)silyl]oxybutyl]-2-methoxy-5-methyloxan-2-yl]-triethylsilyloxymethyl]-5-methyl-3,4-bis(triethylsilyloxy)oxan-2-yl]methyl 2,2-dimethylpropanoate?
The InChIKey is YZEGIARIENZESC-YQAYHKFASA-N. The full InChI is InChI=1S/C64H118O10Si5/c1-24-76(25-2,26-3)72-56-50(11)57(69-55(48-67-60(65)61(12,13)14)58(56)73-77(27-4,28-5)29-6)59(74-78(30-7,31-8)32-9)64(66-21)47-54(71-75(22,23)62(15,16)17)49(10)53(70-64)45-39-40-46-68-79(63(18,19)20,51-41-35-33-36-42-51)52-43-37-34-38-44-52/h33-38,41-44,49-50,53-59H,24-32,39-40,45-48H2,1-23H3/t49-,50?,53+,54-,55+,56+,57+,58+,59-,64+/m0/s1.
What are the key properties of [(2R,3R,4R,5S,6R)-6-[(S)-[(2R,4S,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[4-[tert-butyl(diphenyl)silyl]oxybutyl]-2-methoxy-5-methyloxan-2-yl]-triethylsilyloxymethyl]-5-methyl-3,4-bis(triethylsilyloxy)oxan-2-yl]methyl 2,2-dimethylpropanoate?
[(2R,3R,4R,5S,6R)-6-[(S)-[(2R,4S,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[4-[tert-butyl(diphenyl)silyl]oxybutyl]-2-methoxy-5-methyloxan-2-yl]-triethylsilyloxymethyl]-5-methyl-3,4-bis(triethylsilyloxy)oxan-2-yl]methyl 2,2-dimethylpropanoate has a molecular weight of 1188.07 g/mol, XLogP of 16.06, 30 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R,4R,5S,6R)-6-[(S)-[(2R,4S,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[4-[tert-butyl(diphenyl)silyl]oxybutyl]-2-methoxy-5-methyloxan-2-yl]-triethylsilyloxymethyl]-5-methyl-3,4-bis(triethylsilyloxy)oxan-2-yl]methyl 2,2-dimethylpropanoate is sourced from PubChem (CID 11309325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).