(2R,3R,4S)-1-(benzenesulfonylmethyl)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-4-(dimethoxymethyl)cyclopentan-1-ol

C27H50O7SSi2 — CID 134982164

IUPAC(2R,3R,4S)-1-(benzenesulfonylmethyl)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-4-(dimethoxymethyl)cyclopentan-1-ol
SMILESCOC(OC)[C@H]1CC(O)(CS(=O)(=O)c2ccccc2)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C27H50O7SSi2/c1-25(2,3)36(9,10)33-22-21(24(31-7)32-8)18-27(28,23(22)34-37(11,12)26(4,5)6)19-35(29,30)20-16-14-13-15-17-20/h13-17,21-24,28H,18-19H2,1-12H3/t21-,22+,23+,27?/m0/s1
InChIKeyWEUJWCGZUUZFGQ-RYMFGWHHSA-N
MW574.93 g/mol
LogP5.61
Rot. Bonds10

About (2R,3R,4S)-1-(benzenesulfonylmethyl)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-4-(dimethoxymethyl)cyclopentan-1-ol

(2R,3R,4S)-1-(benzenesulfonylmethyl)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-4-(dimethoxymethyl)cyclopentan-1-ol (PubChem CID 134982164) has the molecular formula C27H50O7SSi2 and a molecular weight of 574.93 g/mol. Its IUPAC name is (2R,3R,4S)-1-(benzenesulfonylmethyl)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-4-(dimethoxymethyl)cyclopentan-1-ol.

Molecular Properties

Compound Name(2R,3R,4S)-1-(benzenesulfonylmethyl)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-4-(dimethoxymethyl)cyclopentan-1-ol
PubChem CID134982164
Molecular FormulaC27H50O7SSi2
Molecular Weight574.93 g/mol
Exact Mass574.28
IUPAC Name(2R,3R,4S)-1-(benzenesulfonylmethyl)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-4-(dimethoxymethyl)cyclopentan-1-ol
SMILESCOC(OC)[C@H]1CC(O)(CS(=O)(=O)c2ccccc2)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C27H50O7SSi2/c1-25(2,3)36(9,10)33-22-21(24(31-7)32-8)18-27(28,23(22)34-37(11,12)26(4,5)6)19-35(29,30)20-16-14-13-15-17-20/h13-17,21-24,28H,18-19H2,1-12H3/t21-,22+,23+,27?/m0/s1
InChIKeyWEUJWCGZUUZFGQ-RYMFGWHHSA-N
XLogP5.61
TPSA91.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.93
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

(3S)-1-[(3aR,4R,5R,6aS)-5-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-4-yl]-1-(benzenesulfonyl)-3-[tert-butyl(dimethyl)silyl]oxyoctan-2-ol
CID 134877798
(3R,4S,5S)-2-(benzenesulfonylmethyl)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-(dimethoxymethyl)oxolan-2-ol
CID 10531255
(3R,4S,5R)-2-(benzenesulfonylmethyl)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-(dimethoxymethyl)oxolan-2-ol
CID 10745742
(3R,4R,5S)-2-(benzenesulfonylmethyl)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-(dimethoxymethyl)oxolan-2-ol
CID 10875531
[(4R,5R,7S,8S,9S)-4-[(2S)-1-(benzenesulfonyl)propan-2-yl]-8-(methoxymethoxy)-2,2,7-trimethyl-1,3-dioxaspiro[4.4]nonan-9-yl]methoxy-tert-butyl-dimethylsilane
CID 101248429
(3aS,5R,6S,6aR)-5-(benzenesulfonylmethyl)-6-triethylsilyloxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol
CID 102156260

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S)-1-(benzenesulfonylmethyl)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-4-(dimethoxymethyl)cyclopentan-1-ol?
The IUPAC name of (2R,3R,4S)-1-(benzenesulfonylmethyl)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-4-(dimethoxymethyl)cyclopentan-1-ol (CID 134982164) is (2R,3R,4S)-1-(benzenesulfonylmethyl)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-4-(dimethoxymethyl)cyclopentan-1-ol.
What is the SMILES notation for (2R,3R,4S)-1-(benzenesulfonylmethyl)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-4-(dimethoxymethyl)cyclopentan-1-ol?
The canonical SMILES for (2R,3R,4S)-1-(benzenesulfonylmethyl)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-4-(dimethoxymethyl)cyclopentan-1-ol is COC(OC)[C@H]1CC(O)(CS(=O)(=O)c2ccccc2)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2R,3R,4S)-1-(benzenesulfonylmethyl)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-4-(dimethoxymethyl)cyclopentan-1-ol?
The InChIKey is WEUJWCGZUUZFGQ-RYMFGWHHSA-N. The full InChI is InChI=1S/C27H50O7SSi2/c1-25(2,3)36(9,10)33-22-21(24(31-7)32-8)18-27(28,23(22)34-37(11,12)26(4,5)6)19-35(29,30)20-16-14-13-15-17-20/h13-17,21-24,28H,18-19H2,1-12H3/t21-,22+,23+,27?/m0/s1.
What are the key properties of (2R,3R,4S)-1-(benzenesulfonylmethyl)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-4-(dimethoxymethyl)cyclopentan-1-ol?
(2R,3R,4S)-1-(benzenesulfonylmethyl)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-4-(dimethoxymethyl)cyclopentan-1-ol has a molecular weight of 574.93 g/mol, XLogP of 5.61, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S)-1-(benzenesulfonylmethyl)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-4-(dimethoxymethyl)cyclopentan-1-ol is sourced from PubChem (CID 134982164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).