(2S,4S)-1-[2-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylpropyl]-1,3-dithian-2-yl]-6-[tert-butyl(diphenyl)silyl]oxy-4-triethylsilyloxyhexan-2-ol

C47H82O6S2Si3 — CID 10975003

IUPAC(2S,4S)-1-[2-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylpropyl]-1,3-dithian-2-yl]-6-[tert-butyl(diphenyl)silyl]oxy-4-triethylsilyloxyhexan-2-ol
SMILESCC[Si](CC)(CC)O[C@@H](CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C[C@H](O)CC1(C[C@](C)(C[C@@H]2COC(C)(C)O2)O[Si](C)(C)C(C)(C)C)SCCCS1
InChIInChI=1S/C47H82O6S2Si3/c1-15-57(16-2,17-3)52-39(29-30-50-58(44(7,8)9,41-25-20-18-21-26-41)42-27-22-19-23-28-42)33-38(48)34-47(54-31-24-32-55-47)37-46(12,53-56(13,14)43(4,5)6)35-40-36-49-45(10,11)51-40/h18-23,25-28,38-40,48H,15-17,24,29-37H2,1-14H3/t38-,39-,40+,46-/m0/s1
InChIKeyWZIUSIWVDQPVGQ-OXCCXQFRSA-N
MW891.56 g/mol
LogP11.76
Rot. Bonds21

About (2S,4S)-1-[2-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylpropyl]-1,3-dithian-2-yl]-6-[tert-butyl(diphenyl)silyl]oxy-4-triethylsilyloxyhexan-2-ol

(2S,4S)-1-[2-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylpropyl]-1,3-dithian-2-yl]-6-[tert-butyl(diphenyl)silyl]oxy-4-triethylsilyloxyhexan-2-ol (PubChem CID 10975003) has the molecular formula C47H82O6S2Si3 and a molecular weight of 891.56 g/mol. Its IUPAC name is (2S,4S)-1-[2-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylpropyl]-1,3-dithian-2-yl]-6-[tert-butyl(diphenyl)silyl]oxy-4-triethylsilyloxyhexan-2-ol.

Molecular Properties

Compound Name(2S,4S)-1-[2-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylpropyl]-1,3-dithian-2-yl]-6-[tert-butyl(diphenyl)silyl]oxy-4-triethylsilyloxyhexan-2-ol
PubChem CID10975003
Molecular FormulaC47H82O6S2Si3
Molecular Weight891.56 g/mol
Exact Mass890.49
IUPAC Name(2S,4S)-1-[2-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylpropyl]-1,3-dithian-2-yl]-6-[tert-butyl(diphenyl)silyl]oxy-4-triethylsilyloxyhexan-2-ol
SMILESCC[Si](CC)(CC)O[C@@H](CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C[C@H](O)CC1(C[C@](C)(C[C@@H]2COC(C)(C)O2)O[Si](C)(C)C(C)(C)C)SCCCS1
InChIInChI=1S/C47H82O6S2Si3/c1-15-57(16-2,17-3)52-39(29-30-50-58(44(7,8)9,41-25-20-18-21-26-41)42-27-22-19-23-28-42)33-38(48)34-47(54-31-24-32-55-47)37-46(12,53-56(13,14)43(4,5)6)35-40-36-49-45(10,11)51-40/h18-23,25-28,38-40,48H,15-17,24,29-37H2,1-14H3/t38-,39-,40+,46-/m0/s1
InChIKeyWZIUSIWVDQPVGQ-OXCCXQFRSA-N
XLogP11.76
TPSA66.38 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds21
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500891.56
LogP ≤ 511.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze (2S,4S)-1-[2-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylpropyl]-1,3-dithian-2-yl]-6-[tert-butyl(diphenyl)silyl]oxy-4-triethylsilyloxyhexan-2-ol 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 (2S,4S)-1-[2-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylpropyl]-1,3-dithian-2-yl]-6-[tert-butyl(diphenyl)silyl]oxy-4-triethylsilyloxyhexan-2-ol?
The IUPAC name of (2S,4S)-1-[2-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylpropyl]-1,3-dithian-2-yl]-6-[tert-butyl(diphenyl)silyl]oxy-4-triethylsilyloxyhexan-2-ol (CID 10975003) is (2S,4S)-1-[2-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylpropyl]-1,3-dithian-2-yl]-6-[tert-butyl(diphenyl)silyl]oxy-4-triethylsilyloxyhexan-2-ol.
What is the SMILES notation for (2S,4S)-1-[2-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylpropyl]-1,3-dithian-2-yl]-6-[tert-butyl(diphenyl)silyl]oxy-4-triethylsilyloxyhexan-2-ol?
The canonical SMILES for (2S,4S)-1-[2-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylpropyl]-1,3-dithian-2-yl]-6-[tert-butyl(diphenyl)silyl]oxy-4-triethylsilyloxyhexan-2-ol is CC[Si](CC)(CC)O[C@@H](CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C[C@H](O)CC1(C[C@](C)(C[C@@H]2COC(C)(C)O2)O[Si](C)(C)C(C)(C)C)SCCCS1.
What is the InChIKey of (2S,4S)-1-[2-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylpropyl]-1,3-dithian-2-yl]-6-[tert-butyl(diphenyl)silyl]oxy-4-triethylsilyloxyhexan-2-ol?
The InChIKey is WZIUSIWVDQPVGQ-OXCCXQFRSA-N. The full InChI is InChI=1S/C47H82O6S2Si3/c1-15-57(16-2,17-3)52-39(29-30-50-58(44(7,8)9,41-25-20-18-21-26-41)42-27-22-19-23-28-42)33-38(48)34-47(54-31-24-32-55-47)37-46(12,53-56(13,14)43(4,5)6)35-40-36-49-45(10,11)51-40/h18-23,25-28,38-40,48H,15-17,24,29-37H2,1-14H3/t38-,39-,40+,46-/m0/s1.
What are the key properties of (2S,4S)-1-[2-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylpropyl]-1,3-dithian-2-yl]-6-[tert-butyl(diphenyl)silyl]oxy-4-triethylsilyloxyhexan-2-ol?
(2S,4S)-1-[2-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylpropyl]-1,3-dithian-2-yl]-6-[tert-butyl(diphenyl)silyl]oxy-4-triethylsilyloxyhexan-2-ol has a molecular weight of 891.56 g/mol, XLogP of 11.76, 21 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-1-[2-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylpropyl]-1,3-dithian-2-yl]-6-[tert-butyl(diphenyl)silyl]oxy-4-triethylsilyloxyhexan-2-ol is sourced from PubChem (CID 10975003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).