[(2R,3R,4R)-6-(benzenesulfonyl)-4-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxyoxan-2-yl]methanol

C25H36O6SSi — CID 11145441

IUPAC[(2R,3R,4R)-6-(benzenesulfonyl)-4-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxyoxan-2-yl]methanol
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1CC(S(=O)(=O)c2ccccc2)O[C@H](CO)[C@H]1OCc1ccccc1
InChIInChI=1S/C25H36O6SSi/c1-25(2,3)33(4,5)31-21-16-23(32(27,28)20-14-10-7-11-15-20)30-22(17-26)24(21)29-18-19-12-8-6-9-13-19/h6-15,21-24,26H,16-18H2,1-5H3/t21-,22-,23?,24+/m1/s1
InChIKeyCMJCCCVNDAQUJD-LBJGMLRWSA-N
MW492.71 g/mol
LogP4.54
Rot. Bonds8

About [(2R,3R,4R)-6-(benzenesulfonyl)-4-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxyoxan-2-yl]methanol

[(2R,3R,4R)-6-(benzenesulfonyl)-4-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxyoxan-2-yl]methanol (PubChem CID 11145441) has the molecular formula C25H36O6SSi and a molecular weight of 492.71 g/mol. Its IUPAC name is [(2R,3R,4R)-6-(benzenesulfonyl)-4-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxyoxan-2-yl]methanol.

Molecular Properties

Compound Name[(2R,3R,4R)-6-(benzenesulfonyl)-4-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxyoxan-2-yl]methanol
PubChem CID11145441
Molecular FormulaC25H36O6SSi
Molecular Weight492.71 g/mol
Exact Mass492.20
IUPAC Name[(2R,3R,4R)-6-(benzenesulfonyl)-4-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxyoxan-2-yl]methanol
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1CC(S(=O)(=O)c2ccccc2)O[C@H](CO)[C@H]1OCc1ccccc1
InChIInChI=1S/C25H36O6SSi/c1-25(2,3)33(4,5)31-21-16-23(32(27,28)20-14-10-7-11-15-20)30-22(17-26)24(21)29-18-19-12-8-6-9-13-19/h6-15,21-24,26H,16-18H2,1-5H3/t21-,22-,23?,24+/m1/s1
InChIKeyCMJCCCVNDAQUJD-LBJGMLRWSA-N
XLogP4.54
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.71
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [(2R,3R,4R)-6-(benzenesulfonyl)-4-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxyoxan-2-yl]methanol with MolForge

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Related Compounds

(1R)-3-(benzenesulfonyl)-1-[(2R,5R)-5-(phenylmethoxymethyl)oxolan-2-yl]propan-1-ol
CID 44264640
4-(Benzenesulfonyl)-4-fluoro-1-phenylmethoxyoctan-3-ol
CID 102270642
4-(Benzenesulfonyl)-4-fluoro-1-phenylmethoxynonadecan-3-ol
CID 135060993
4-(Benzenesulfonyl)-4-fluoro-1-phenylmethoxydodecan-3-ol
CID 135062260
4-(Benzenesulfonyl)-4-fluoro-1-phenylmethoxyheptadecan-3-ol
CID 135062265
(3S,4S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-phenylmethoxythiolan-3-ol
CID 10528669
(2R,3S,4R)-3,4-bis(benzyloxy)-2-((benzyloxy)methyl)-6-((2-methylallyl)sulfonyl)tetrahydro-2H-pyran
CID 156044967
tert-butyldimethyl(((2R,3R,4S,5R)-3,4,5-tris(benzyloxy)-6-((2-methylallyl)sulfonyl)tetrahydro-2H-pyran-2-yl)methoxy)silane
CID 162786686
(2R)-1-(4-fluorophenyl)sulfonyl-2-methyl-3-phenylmethoxypropan-2-ol
CID 102152115
1-(4-Fluorophenyl)sulfonyl-2-methyl-3-phenylmethoxypropan-2-ol
CID 140086555
6-[Dimethyl(phenyl)silyl]-1-phenylmethoxy-4-phenylsulfanylhex-5-yn-2-ol
CID 10599513
Phenyl 3-O-benzyl-b-D-thioglucopyranoside
CID 10690030

Frequently Asked Questions

What is the IUPAC name of [(2R,3R,4R)-6-(benzenesulfonyl)-4-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxyoxan-2-yl]methanol?
The IUPAC name of [(2R,3R,4R)-6-(benzenesulfonyl)-4-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxyoxan-2-yl]methanol (CID 11145441) is [(2R,3R,4R)-6-(benzenesulfonyl)-4-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxyoxan-2-yl]methanol.
What is the SMILES notation for [(2R,3R,4R)-6-(benzenesulfonyl)-4-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxyoxan-2-yl]methanol?
The canonical SMILES for [(2R,3R,4R)-6-(benzenesulfonyl)-4-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxyoxan-2-yl]methanol is CC(C)(C)[Si](C)(C)O[C@@H]1CC(S(=O)(=O)c2ccccc2)O[C@H](CO)[C@H]1OCc1ccccc1.
What is the InChIKey of [(2R,3R,4R)-6-(benzenesulfonyl)-4-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxyoxan-2-yl]methanol?
The InChIKey is CMJCCCVNDAQUJD-LBJGMLRWSA-N. The full InChI is InChI=1S/C25H36O6SSi/c1-25(2,3)33(4,5)31-21-16-23(32(27,28)20-14-10-7-11-15-20)30-22(17-26)24(21)29-18-19-12-8-6-9-13-19/h6-15,21-24,26H,16-18H2,1-5H3/t21-,22-,23?,24+/m1/s1.
What are the key properties of [(2R,3R,4R)-6-(benzenesulfonyl)-4-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxyoxan-2-yl]methanol?
[(2R,3R,4R)-6-(benzenesulfonyl)-4-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxyoxan-2-yl]methanol has a molecular weight of 492.71 g/mol, XLogP of 4.54, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R,4R)-6-(benzenesulfonyl)-4-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxyoxan-2-yl]methanol is sourced from PubChem (CID 11145441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).