2-[(2S,3S,4R,5R)-3-(benzenesulfonylmethyl)-5-[(2S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propyl]-4-methoxyoxolan-2-yl]ethoxy-triethylsilane

C35H68O7SSi3 — CID 131749894

IUPAC2-[(2S,3S,4R,5R)-3-(benzenesulfonylmethyl)-5-[(2S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propyl]-4-methoxyoxolan-2-yl]ethoxy-triethylsilane
SMILESCC[Si](CC)(CC)OCC[C@@H]1O[C@H](C[C@@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@H](OC)[C@H]1CS(=O)(=O)c1ccccc1
InChIInChI=1S/C35H68O7SSi3/c1-15-46(16-2,17-3)39-24-23-31-30(27-43(36,37)29-21-19-18-20-22-29)33(38-10)32(41-31)25-28(42-45(13,14)35(7,8)9)26-40-44(11,12)34(4,5)6/h18-22,28,30-33H,15-17,23-27H2,1-14H3/t28-,30-,31-,32+,33+/m0/s1
InChIKeyKJVHAMFRKYVAHH-VYIXFUBHSA-N
MW717.25 g/mol
LogP9.07
Rot. Bonds18

About 2-[(2S,3S,4R,5R)-3-(benzenesulfonylmethyl)-5-[(2S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propyl]-4-methoxyoxolan-2-yl]ethoxy-triethylsilane

2-[(2S,3S,4R,5R)-3-(benzenesulfonylmethyl)-5-[(2S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propyl]-4-methoxyoxolan-2-yl]ethoxy-triethylsilane (PubChem CID 131749894) has the molecular formula C35H68O7SSi3 and a molecular weight of 717.25 g/mol. Its IUPAC name is 2-[(2S,3S,4R,5R)-3-(benzenesulfonylmethyl)-5-[(2S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propyl]-4-methoxyoxolan-2-yl]ethoxy-triethylsilane.

Molecular Properties

Compound Name2-[(2S,3S,4R,5R)-3-(benzenesulfonylmethyl)-5-[(2S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propyl]-4-methoxyoxolan-2-yl]ethoxy-triethylsilane
PubChem CID131749894
Molecular FormulaC35H68O7SSi3
Molecular Weight717.25 g/mol
Exact Mass716.40
IUPAC Name2-[(2S,3S,4R,5R)-3-(benzenesulfonylmethyl)-5-[(2S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propyl]-4-methoxyoxolan-2-yl]ethoxy-triethylsilane
SMILESCC[Si](CC)(CC)OCC[C@@H]1O[C@H](C[C@@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@H](OC)[C@H]1CS(=O)(=O)c1ccccc1
InChIInChI=1S/C35H68O7SSi3/c1-15-46(16-2,17-3)39-24-23-31-30(27-43(36,37)29-21-19-18-20-22-29)33(38-10)32(41-31)25-28(42-45(13,14)35(7,8)9)26-40-44(11,12)34(4,5)6/h18-22,28,30-33H,15-17,23-27H2,1-14H3/t28-,30-,31-,32+,33+/m0/s1
InChIKeyKJVHAMFRKYVAHH-VYIXFUBHSA-N
XLogP9.07
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds18
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500717.25
LogP ≤ 59.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S,3S,4R,5R)-3-(benzenesulfonylmethyl)-5-[(2S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propyl]-4-methoxyoxolan-2-yl]ethoxy-triethylsilane?
The IUPAC name of 2-[(2S,3S,4R,5R)-3-(benzenesulfonylmethyl)-5-[(2S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propyl]-4-methoxyoxolan-2-yl]ethoxy-triethylsilane (CID 131749894) is 2-[(2S,3S,4R,5R)-3-(benzenesulfonylmethyl)-5-[(2S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propyl]-4-methoxyoxolan-2-yl]ethoxy-triethylsilane.
What is the SMILES notation for 2-[(2S,3S,4R,5R)-3-(benzenesulfonylmethyl)-5-[(2S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propyl]-4-methoxyoxolan-2-yl]ethoxy-triethylsilane?
The canonical SMILES for 2-[(2S,3S,4R,5R)-3-(benzenesulfonylmethyl)-5-[(2S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propyl]-4-methoxyoxolan-2-yl]ethoxy-triethylsilane is CC[Si](CC)(CC)OCC[C@@H]1O[C@H](C[C@@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@H](OC)[C@H]1CS(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[(2S,3S,4R,5R)-3-(benzenesulfonylmethyl)-5-[(2S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propyl]-4-methoxyoxolan-2-yl]ethoxy-triethylsilane?
The InChIKey is KJVHAMFRKYVAHH-VYIXFUBHSA-N. The full InChI is InChI=1S/C35H68O7SSi3/c1-15-46(16-2,17-3)39-24-23-31-30(27-43(36,37)29-21-19-18-20-22-29)33(38-10)32(41-31)25-28(42-45(13,14)35(7,8)9)26-40-44(11,12)34(4,5)6/h18-22,28,30-33H,15-17,23-27H2,1-14H3/t28-,30-,31-,32+,33+/m0/s1.
What are the key properties of 2-[(2S,3S,4R,5R)-3-(benzenesulfonylmethyl)-5-[(2S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propyl]-4-methoxyoxolan-2-yl]ethoxy-triethylsilane?
2-[(2S,3S,4R,5R)-3-(benzenesulfonylmethyl)-5-[(2S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propyl]-4-methoxyoxolan-2-yl]ethoxy-triethylsilane has a molecular weight of 717.25 g/mol, XLogP of 9.07, 18 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,3S,4R,5R)-3-(benzenesulfonylmethyl)-5-[(2S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propyl]-4-methoxyoxolan-2-yl]ethoxy-triethylsilane is sourced from PubChem (CID 131749894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).