(2S,4S)-6-[tert-butyl(dimethyl)silyl]oxy-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]-4-triethylsilyloxyhexan-2-ol

C37H78O6S2Si3 — CID 135069941

IUPAC(2S,4S)-6-[tert-butyl(dimethyl)silyl]oxy-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]-4-triethylsilyloxyhexan-2-ol
SMILESCC[Si](CC)(CC)O[C@@H](CCO[Si](C)(C)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/C37H78O6S2Si3/c1-17-48(18-2,19-3)42-31(21-22-40-46(13,14)33(4,5)6)25-30(38)26-37(44-23-20-24-45-37)29-36(12,43-47(15,16)34(7,8)9)27-32-28-39-35(10,11)41-32/h30-32,38H,17-29H2,1-16H3/t30-,31-,32+,36-/m0/s1
InChIKeyKTUFWNJBVRSZFP-GSFCIGPDSA-N
MW767.42 g/mol
LogP11.21
Rot. Bonds19

About (2S,4S)-6-[tert-butyl(dimethyl)silyl]oxy-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]-4-triethylsilyloxyhexan-2-ol

(2S,4S)-6-[tert-butyl(dimethyl)silyl]oxy-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]-4-triethylsilyloxyhexan-2-ol (PubChem CID 135069941) has the molecular formula C37H78O6S2Si3 and a molecular weight of 767.42 g/mol. Its IUPAC name is (2S,4S)-6-[tert-butyl(dimethyl)silyl]oxy-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]-4-triethylsilyloxyhexan-2-ol.

Molecular Properties

Compound Name(2S,4S)-6-[tert-butyl(dimethyl)silyl]oxy-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]-4-triethylsilyloxyhexan-2-ol
PubChem CID135069941
Molecular FormulaC37H78O6S2Si3
Molecular Weight767.42 g/mol
Exact Mass766.45
IUPAC Name(2S,4S)-6-[tert-butyl(dimethyl)silyl]oxy-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]-4-triethylsilyloxyhexan-2-ol
SMILESCC[Si](CC)(CC)O[C@@H](CCO[Si](C)(C)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/C37H78O6S2Si3/c1-17-48(18-2,19-3)42-31(21-22-40-46(13,14)33(4,5)6)25-30(38)26-37(44-23-20-24-45-37)29-36(12,43-47(15,16)34(7,8)9)27-32-28-39-35(10,11)41-32/h30-32,38H,17-29H2,1-16H3/t30-,31-,32+,36-/m0/s1
InChIKeyKTUFWNJBVRSZFP-GSFCIGPDSA-N
XLogP11.21
TPSA66.38 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds19
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500767.42
LogP ≤ 511.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze (2S,4S)-6-[tert-butyl(dimethyl)silyl]oxy-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]-4-triethylsilyloxyhexan-2-ol with MolForge

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Related Compounds

tert-butyl-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-dimethylsilane
CID 10105989
(3S,4R)-1-[tert-butyl(dimethyl)silyl]oxy-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]pentan-3-ol
CID 174046507
tert-butyl-[9-(2,2-dimethyl-1,3-dioxolan-4-yl)nonoxy]-dimethylsilane
CID 11360349
(2S)-5-[tert-butyl(dimethyl)silyl]oxy-1-[2-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-yl]-1,3-dithian-2-yl]pentan-2-ol
CID 59051785
(2S)-1-[(4S,6R)-6-[[(4R,6R)-6-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-2,2-dimethyl-1,3-dioxan-4-yl]methyl]-2,2-dimethyl-1,3-dioxan-4-yl]-3-[2-[[(4R)-2,2-diphenyl-1,3-dioxolan-4-yl]methyl]-1,3-dithian-2-yl]propan-2-ol
CID 11814810
tert-butyl-[[(4S,5R)-2,2-dimethyl-5-prop-1-en-2-yl-1,3-dioxan-4-yl]methoxy]-dimethylsilane
CID 10542271
(2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-[2-[2-(4-methoxyphenyl)ethyl]-1,3-dithian-2-yl]pentadecan-2-ol
CID 71624026
(1S)-4-[tert-butyl(dimethyl)silyl]oxy-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]butan-1-amine
CID 16655821
(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]propanoic acid
CID 46933569
2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1-(1,3-dithian-2-yl)-3-hydroxypentan-1-one
CID 11222682
4-[tert-butyl(dimethyl)silyl]oxy-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]butan-1-one
CID 135039821
1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]pentan-2-ol
CID 57409905

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-6-[tert-butyl(dimethyl)silyl]oxy-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]-4-triethylsilyloxyhexan-2-ol?
The IUPAC name of (2S,4S)-6-[tert-butyl(dimethyl)silyl]oxy-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]-4-triethylsilyloxyhexan-2-ol (CID 135069941) is (2S,4S)-6-[tert-butyl(dimethyl)silyl]oxy-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]-4-triethylsilyloxyhexan-2-ol.
What is the SMILES notation for (2S,4S)-6-[tert-butyl(dimethyl)silyl]oxy-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]-4-triethylsilyloxyhexan-2-ol?
The canonical SMILES for (2S,4S)-6-[tert-butyl(dimethyl)silyl]oxy-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]-4-triethylsilyloxyhexan-2-ol is CC[Si](CC)(CC)O[C@@H](CCO[Si](C)(C)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)-6-[tert-butyl(dimethyl)silyl]oxy-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]-4-triethylsilyloxyhexan-2-ol?
The InChIKey is KTUFWNJBVRSZFP-GSFCIGPDSA-N. The full InChI is InChI=1S/C37H78O6S2Si3/c1-17-48(18-2,19-3)42-31(21-22-40-46(13,14)33(4,5)6)25-30(38)26-37(44-23-20-24-45-37)29-36(12,43-47(15,16)34(7,8)9)27-32-28-39-35(10,11)41-32/h30-32,38H,17-29H2,1-16H3/t30-,31-,32+,36-/m0/s1.
What are the key properties of (2S,4S)-6-[tert-butyl(dimethyl)silyl]oxy-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]-4-triethylsilyloxyhexan-2-ol?
(2S,4S)-6-[tert-butyl(dimethyl)silyl]oxy-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]-4-triethylsilyloxyhexan-2-ol has a molecular weight of 767.42 g/mol, XLogP of 11.21, 19 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-6-[tert-butyl(dimethyl)silyl]oxy-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]-4-triethylsilyloxyhexan-2-ol is sourced from PubChem (CID 135069941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).