tert-butyl-[(3R,4R,6R)-3-[(2R,5R,6S)-5-(methoxymethoxy)-6-methyl-4-tri(propan-2-yl)silyloxyoxan-2-yl]sulfanyl-2-methyl-6-phenylsulfanyloxan-4-yl]oxy-dimethylsilane

C35H64O6S2Si2 — CID 135022781

IUPACtert-butyl-[(3R,4R,6R)-3-[(2R,5R,6S)-5-(methoxymethoxy)-6-methyl-4-tri(propan-2-yl)silyloxyoxan-2-yl]sulfanyl-2-methyl-6-phenylsulfanyloxan-4-yl]oxy-dimethylsilane
SMILESCOCO[C@H]1C(O[Si](C(C)C)(C(C)C)C(C)C)C[C@@H](S[C@@H]2C(C)O[C@H](Sc3ccccc3)C[C@H]2O[Si](C)(C)C(C)(C)C)O[C@H]1C
InChIInChI=1S/C35H64O6S2Si2/c1-23(2)45(24(3)4,25(5)6)41-29-20-32(38-26(7)33(29)37-22-36-12)43-34-27(8)39-31(42-28-18-16-15-17-19-28)21-30(34)40-44(13,14)35(9,10)11/h15-19,23-27,29-34H,20-22H2,1-14H3/t26-,27?,29?,30+,31+,32+,33+,34+/m0/s1
InChIKeyHOEUUTAAFBFRLK-NTHJAMIVSA-N
MW701.20 g/mol
LogP10.09
Rot. Bonds14

About tert-butyl-[(3R,4R,6R)-3-[(2R,5R,6S)-5-(methoxymethoxy)-6-methyl-4-tri(propan-2-yl)silyloxyoxan-2-yl]sulfanyl-2-methyl-6-phenylsulfanyloxan-4-yl]oxy-dimethylsilane

tert-butyl-[(3R,4R,6R)-3-[(2R,5R,6S)-5-(methoxymethoxy)-6-methyl-4-tri(propan-2-yl)silyloxyoxan-2-yl]sulfanyl-2-methyl-6-phenylsulfanyloxan-4-yl]oxy-dimethylsilane (PubChem CID 135022781) has the molecular formula C35H64O6S2Si2 and a molecular weight of 701.20 g/mol. Its IUPAC name is tert-butyl-[(3R,4R,6R)-3-[(2R,5R,6S)-5-(methoxymethoxy)-6-methyl-4-tri(propan-2-yl)silyloxyoxan-2-yl]sulfanyl-2-methyl-6-phenylsulfanyloxan-4-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(3R,4R,6R)-3-[(2R,5R,6S)-5-(methoxymethoxy)-6-methyl-4-tri(propan-2-yl)silyloxyoxan-2-yl]sulfanyl-2-methyl-6-phenylsulfanyloxan-4-yl]oxy-dimethylsilane
PubChem CID135022781
Molecular FormulaC35H64O6S2Si2
Molecular Weight701.20 g/mol
Exact Mass700.37
IUPAC Nametert-butyl-[(3R,4R,6R)-3-[(2R,5R,6S)-5-(methoxymethoxy)-6-methyl-4-tri(propan-2-yl)silyloxyoxan-2-yl]sulfanyl-2-methyl-6-phenylsulfanyloxan-4-yl]oxy-dimethylsilane
SMILESCOCO[C@H]1C(O[Si](C(C)C)(C(C)C)C(C)C)C[C@@H](S[C@@H]2C(C)O[C@H](Sc3ccccc3)C[C@H]2O[Si](C)(C)C(C)(C)C)O[C@H]1C
InChIInChI=1S/C35H64O6S2Si2/c1-23(2)45(24(3)4,25(5)6)41-29-20-32(38-26(7)33(29)37-22-36-12)43-34-27(8)39-31(42-28-18-16-15-17-19-28)21-30(34)40-44(13,14)35(9,10)11/h15-19,23-27,29-34H,20-22H2,1-14H3/t26-,27?,29?,30+,31+,32+,33+,34+/m0/s1
InChIKeyHOEUUTAAFBFRLK-NTHJAMIVSA-N
XLogP10.09
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds14
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500701.20
LogP ≤ 510.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze tert-butyl-[(3R,4R,6R)-3-[(2R,5R,6S)-5-(methoxymethoxy)-6-methyl-4-tri(propan-2-yl)silyloxyoxan-2-yl]sulfanyl-2-methyl-6-phenylsulfanyloxan-4-yl]oxy-dimethylsilane with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(3R,4R,6R)-3-[(2R,5R,6S)-5-(methoxymethoxy)-6-methyl-4-tri(propan-2-yl)silyloxyoxan-2-yl]sulfanyl-2-methyl-6-phenylsulfanyloxan-4-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(3R,4R,6R)-3-[(2R,5R,6S)-5-(methoxymethoxy)-6-methyl-4-tri(propan-2-yl)silyloxyoxan-2-yl]sulfanyl-2-methyl-6-phenylsulfanyloxan-4-yl]oxy-dimethylsilane (CID 135022781) is tert-butyl-[(3R,4R,6R)-3-[(2R,5R,6S)-5-(methoxymethoxy)-6-methyl-4-tri(propan-2-yl)silyloxyoxan-2-yl]sulfanyl-2-methyl-6-phenylsulfanyloxan-4-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(3R,4R,6R)-3-[(2R,5R,6S)-5-(methoxymethoxy)-6-methyl-4-tri(propan-2-yl)silyloxyoxan-2-yl]sulfanyl-2-methyl-6-phenylsulfanyloxan-4-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(3R,4R,6R)-3-[(2R,5R,6S)-5-(methoxymethoxy)-6-methyl-4-tri(propan-2-yl)silyloxyoxan-2-yl]sulfanyl-2-methyl-6-phenylsulfanyloxan-4-yl]oxy-dimethylsilane is COCO[C@H]1C(O[Si](C(C)C)(C(C)C)C(C)C)C[C@@H](S[C@@H]2C(C)O[C@H](Sc3ccccc3)C[C@H]2O[Si](C)(C)C(C)(C)C)O[C@H]1C.
What is the InChIKey of tert-butyl-[(3R,4R,6R)-3-[(2R,5R,6S)-5-(methoxymethoxy)-6-methyl-4-tri(propan-2-yl)silyloxyoxan-2-yl]sulfanyl-2-methyl-6-phenylsulfanyloxan-4-yl]oxy-dimethylsilane?
The InChIKey is HOEUUTAAFBFRLK-NTHJAMIVSA-N. The full InChI is InChI=1S/C35H64O6S2Si2/c1-23(2)45(24(3)4,25(5)6)41-29-20-32(38-26(7)33(29)37-22-36-12)43-34-27(8)39-31(42-28-18-16-15-17-19-28)21-30(34)40-44(13,14)35(9,10)11/h15-19,23-27,29-34H,20-22H2,1-14H3/t26-,27?,29?,30+,31+,32+,33+,34+/m0/s1.
What are the key properties of tert-butyl-[(3R,4R,6R)-3-[(2R,5R,6S)-5-(methoxymethoxy)-6-methyl-4-tri(propan-2-yl)silyloxyoxan-2-yl]sulfanyl-2-methyl-6-phenylsulfanyloxan-4-yl]oxy-dimethylsilane?
tert-butyl-[(3R,4R,6R)-3-[(2R,5R,6S)-5-(methoxymethoxy)-6-methyl-4-tri(propan-2-yl)silyloxyoxan-2-yl]sulfanyl-2-methyl-6-phenylsulfanyloxan-4-yl]oxy-dimethylsilane has a molecular weight of 701.20 g/mol, XLogP of 10.09, 14 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(3R,4R,6R)-3-[(2R,5R,6S)-5-(methoxymethoxy)-6-methyl-4-tri(propan-2-yl)silyloxyoxan-2-yl]sulfanyl-2-methyl-6-phenylsulfanyloxan-4-yl]oxy-dimethylsilane is sourced from PubChem (CID 135022781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).