(2S,3S,4R,5R)-6-[tert-butyl(dimethyl)silyl]oxy-1-[(2S,5S)-5-[(2R,5S)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methyloxolan-2-yl]-5-methyloxolan-2-yl]-3,5-dimethylhexane-2,4-diol

C32H66O6Si2 — CID 52920666

IUPAC(2S,3S,4R,5R)-6-[tert-butyl(dimethyl)silyl]oxy-1-[(2S,5S)-5-[(2R,5S)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methyloxolan-2-yl]-5-methyloxolan-2-yl]-3,5-dimethylhexane-2,4-diol
SMILESC[C@H]([C@H](O)[C@H](C)CO[Si](C)(C)C(C)(C)C)[C@@H](O)C[C@@H]1CC[C@@](C)([C@H]2CC[C@@](C)([C@@H](C)O[Si](C)(C)C(C)(C)C)O2)O1
InChIInChI=1S/C32H66O6Si2/c1-22(21-35-39(12,13)29(4,5)6)28(34)23(2)26(33)20-25-16-18-32(11,36-25)27-17-19-31(10,37-27)24(3)38-40(14,15)30(7,8)9/h22-28,33-34H,16-21H2,1-15H3/t22-,23+,24-,25+,26+,27-,28-,31+,32+/m1/s1
InChIKeyINLIKOFTQNJAGS-FPEPRRNYSA-N
MW603.05 g/mol
LogP7.68
Rot. Bonds12

About (2S,3S,4R,5R)-6-[tert-butyl(dimethyl)silyl]oxy-1-[(2S,5S)-5-[(2R,5S)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methyloxolan-2-yl]-5-methyloxolan-2-yl]-3,5-dimethylhexane-2,4-diol

(2S,3S,4R,5R)-6-[tert-butyl(dimethyl)silyl]oxy-1-[(2S,5S)-5-[(2R,5S)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methyloxolan-2-yl]-5-methyloxolan-2-yl]-3,5-dimethylhexane-2,4-diol (PubChem CID 52920666) has the molecular formula C32H66O6Si2 and a molecular weight of 603.05 g/mol. Its IUPAC name is (2S,3S,4R,5R)-6-[tert-butyl(dimethyl)silyl]oxy-1-[(2S,5S)-5-[(2R,5S)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methyloxolan-2-yl]-5-methyloxolan-2-yl]-3,5-dimethylhexane-2,4-diol.

Molecular Properties

Compound Name(2S,3S,4R,5R)-6-[tert-butyl(dimethyl)silyl]oxy-1-[(2S,5S)-5-[(2R,5S)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methyloxolan-2-yl]-5-methyloxolan-2-yl]-3,5-dimethylhexane-2,4-diol
PubChem CID52920666
Molecular FormulaC32H66O6Si2
Molecular Weight603.05 g/mol
Exact Mass602.44
IUPAC Name(2S,3S,4R,5R)-6-[tert-butyl(dimethyl)silyl]oxy-1-[(2S,5S)-5-[(2R,5S)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methyloxolan-2-yl]-5-methyloxolan-2-yl]-3,5-dimethylhexane-2,4-diol
SMILESC[C@H]([C@H](O)[C@H](C)CO[Si](C)(C)C(C)(C)C)[C@@H](O)C[C@@H]1CC[C@@](C)([C@H]2CC[C@@](C)([C@@H](C)O[Si](C)(C)C(C)(C)C)O2)O1
InChIInChI=1S/C32H66O6Si2/c1-22(21-35-39(12,13)29(4,5)6)28(34)23(2)26(33)20-25-16-18-32(11,36-25)27-17-19-31(10,37-27)24(3)38-40(14,15)30(7,8)9/h22-28,33-34H,16-21H2,1-15H3/t22-,23+,24-,25+,26+,27-,28-,31+,32+/m1/s1
InChIKeyINLIKOFTQNJAGS-FPEPRRNYSA-N
XLogP7.68
TPSA77.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500603.05
LogP ≤ 57.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (2S,3S,4R,5R)-6-[tert-butyl(dimethyl)silyl]oxy-1-[(2S,5S)-5-[(2R,5S)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methyloxolan-2-yl]-5-methyloxolan-2-yl]-3,5-dimethylhexane-2,4-diol 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

(2S)-2-[(2R,5S)-5-[(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyethyl]-5-methyloxolan-2-yl]propane-1,2-diol
CID 10404679
(2S)-2-[(2R,5S)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-2-hydroxyethyl]-5-methyloxolan-2-yl]propane-1,2-diol
CID 11724463
(2R)-2-[(4R,5S,6S)-6-[[(2S,5S)-5-[(2R,5S)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methyloxolan-2-yl]-5-methyloxolan-2-yl]methyl]-2,2,5-trimethyl-1,3-dioxan-4-yl]propan-1-ol
CID 14704730
tert-butyl-[(2R)-2-[(4R,5S,6S)-6-[[(2S,5S)-5-[(2R,5S)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methyloxolan-2-yl]-5-methyloxolan-2-yl]methyl]-2,2,5-trimethyl-1,3-dioxan-4-yl]propoxy]-dimethylsilane
CID 52920732
CID 20725087
CID 20725087
3-[5-Trimethylsilyl-4-(trimethylsilyloxymethyl)nonoxy]propane-1,2-diol
CID 20725091
(3S,3aR,6R,6aR)-3-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol
CID 67567253
[5-[5-Dec-2-ynyl-5-(hydroxymethyl)-2-(3-trimethylsilylprop-2-ynyl)oxolan-2-yl]oxolan-2-yl]methanol
CID 67621230
(1R)-1-[(2S,5R)-5-[(2R,5R)-5-(hydroxymethyl)oxolan-2-yl]-2-(3-trimethylsilylprop-2-ynyl)oxolan-2-yl]undecan-1-ol
CID 67768696
(2R,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-cyclopentyloxolan-3-ol
CID 147412108
1-[(2S,3R,4S,5R)-5-[(2S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propyl]-3-ethyl-4-(hydroxymethyl)oxolan-2-yl]butan-2-ol
CID 160226634
[(2R,3S,4R,5R)-5-[(2S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propyl]-3-(hydroxymethyl)-4-methoxyoxolan-2-yl]methyl 2,2-dimethylpropanoate;[(2R,3R,4R,5R)-5-[(2S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propyl]-3-(hydroxymethyl)-4-methoxyoxolan-2-yl]methyl 2,2-dimethylpropanoate;methane
CID 161171387

Frequently Asked Questions

What is the IUPAC name of (2S,3S,4R,5R)-6-[tert-butyl(dimethyl)silyl]oxy-1-[(2S,5S)-5-[(2R,5S)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methyloxolan-2-yl]-5-methyloxolan-2-yl]-3,5-dimethylhexane-2,4-diol?
The IUPAC name of (2S,3S,4R,5R)-6-[tert-butyl(dimethyl)silyl]oxy-1-[(2S,5S)-5-[(2R,5S)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methyloxolan-2-yl]-5-methyloxolan-2-yl]-3,5-dimethylhexane-2,4-diol (CID 52920666) is (2S,3S,4R,5R)-6-[tert-butyl(dimethyl)silyl]oxy-1-[(2S,5S)-5-[(2R,5S)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methyloxolan-2-yl]-5-methyloxolan-2-yl]-3,5-dimethylhexane-2,4-diol.
What is the SMILES notation for (2S,3S,4R,5R)-6-[tert-butyl(dimethyl)silyl]oxy-1-[(2S,5S)-5-[(2R,5S)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methyloxolan-2-yl]-5-methyloxolan-2-yl]-3,5-dimethylhexane-2,4-diol?
The canonical SMILES for (2S,3S,4R,5R)-6-[tert-butyl(dimethyl)silyl]oxy-1-[(2S,5S)-5-[(2R,5S)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methyloxolan-2-yl]-5-methyloxolan-2-yl]-3,5-dimethylhexane-2,4-diol is C[C@H]([C@H](O)[C@H](C)CO[Si](C)(C)C(C)(C)C)[C@@H](O)C[C@@H]1CC[C@@](C)([C@H]2CC[C@@](C)([C@@H](C)O[Si](C)(C)C(C)(C)C)O2)O1.
What is the InChIKey of (2S,3S,4R,5R)-6-[tert-butyl(dimethyl)silyl]oxy-1-[(2S,5S)-5-[(2R,5S)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methyloxolan-2-yl]-5-methyloxolan-2-yl]-3,5-dimethylhexane-2,4-diol?
The InChIKey is INLIKOFTQNJAGS-FPEPRRNYSA-N. The full InChI is InChI=1S/C32H66O6Si2/c1-22(21-35-39(12,13)29(4,5)6)28(34)23(2)26(33)20-25-16-18-32(11,36-25)27-17-19-31(10,37-27)24(3)38-40(14,15)30(7,8)9/h22-28,33-34H,16-21H2,1-15H3/t22-,23+,24-,25+,26+,27-,28-,31+,32+/m1/s1.
What are the key properties of (2S,3S,4R,5R)-6-[tert-butyl(dimethyl)silyl]oxy-1-[(2S,5S)-5-[(2R,5S)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methyloxolan-2-yl]-5-methyloxolan-2-yl]-3,5-dimethylhexane-2,4-diol?
(2S,3S,4R,5R)-6-[tert-butyl(dimethyl)silyl]oxy-1-[(2S,5S)-5-[(2R,5S)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methyloxolan-2-yl]-5-methyloxolan-2-yl]-3,5-dimethylhexane-2,4-diol has a molecular weight of 603.05 g/mol, XLogP of 7.68, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4R,5R)-6-[tert-butyl(dimethyl)silyl]oxy-1-[(2S,5S)-5-[(2R,5S)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methyloxolan-2-yl]-5-methyloxolan-2-yl]-3,5-dimethylhexane-2,4-diol is sourced from PubChem (CID 52920666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).