[(2S,3R,4R)-5-(benzenesulfonyl)-2-[(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methylpentan-3-yl]oxy-tert-butyl-dimethylsilane

C30H56O6SSi2 — CID 11376890

IUPAC[(2S,3R,4R)-5-(benzenesulfonyl)-2-[(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methylpentan-3-yl]oxy-tert-butyl-dimethylsilane
SMILESC[C@H]([C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)CS(=O)(=O)c1ccccc1)[C@@H]1OC(C)(C)O[C@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C30H56O6SSi2/c1-22(21-37(31,32)24-18-16-15-17-19-24)26(36-39(13,14)29(6,7)8)23(2)27-25(34-30(9,10)35-27)20-33-38(11,12)28(3,4)5/h15-19,22-23,25-27H,20-21H2,1-14H3/t22-,23+,25-,26-,27-/m0/s1
InChIKeyBBMUTXFTYZTYAB-BILQSEOESA-N
MW601.01 g/mol
LogP7.66
Rot. Bonds11

About [(2S,3R,4R)-5-(benzenesulfonyl)-2-[(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methylpentan-3-yl]oxy-tert-butyl-dimethylsilane

[(2S,3R,4R)-5-(benzenesulfonyl)-2-[(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methylpentan-3-yl]oxy-tert-butyl-dimethylsilane (PubChem CID 11376890) has the molecular formula C30H56O6SSi2 and a molecular weight of 601.01 g/mol. Its IUPAC name is [(2S,3R,4R)-5-(benzenesulfonyl)-2-[(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methylpentan-3-yl]oxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(2S,3R,4R)-5-(benzenesulfonyl)-2-[(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methylpentan-3-yl]oxy-tert-butyl-dimethylsilane
PubChem CID11376890
Molecular FormulaC30H56O6SSi2
Molecular Weight601.01 g/mol
Exact Mass600.33
IUPAC Name[(2S,3R,4R)-5-(benzenesulfonyl)-2-[(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methylpentan-3-yl]oxy-tert-butyl-dimethylsilane
SMILESC[C@H]([C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)CS(=O)(=O)c1ccccc1)[C@@H]1OC(C)(C)O[C@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C30H56O6SSi2/c1-22(21-37(31,32)24-18-16-15-17-19-24)26(36-39(13,14)29(6,7)8)23(2)27-25(34-30(9,10)35-27)20-33-38(11,12)28(3,4)5/h15-19,22-23,25-27H,20-21H2,1-14H3/t22-,23+,25-,26-,27-/m0/s1
InChIKeyBBMUTXFTYZTYAB-BILQSEOESA-N
XLogP7.66
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500601.01
LogP ≤ 57.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[(2S)-1-[(2R,3R,4S,5S)-4-(benzenesulfonylmethyl)-3-methoxy-5-prop-2-enyloxolan-2-yl]-3-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]oxy-tert-butyl-dimethylsilane
CID 58991065
[(4'aS,5'R,8'S,9'Z,10'aS)-5'-(benzenesulfonyl)-7',7',10'a-trimethylspiro[1,3-dioxolane-2,3'-2,4,4a,5,6,8-hexahydro-1H-benzo[8]annulene]-8'-yl]oxy-tert-butyl-dimethylsilane
CID 10602409
[(3S)-3-[(4S,5R,6R)-6-[(2R)-1-(benzenesulfonyl)propan-2-yl]-2,2,5-trimethyl-1,3-dioxan-4-yl]-3-methoxyprop-1-ynyl]-tert-butyl-dimethylsilane
CID 11103057
[(2S,3R,4S)-1-(benzenesulfonyl)-2,4-dimethyl-6-(oxiran-2-yl)hexan-3-yl]oxy-tert-butyl-dimethylsilane
CID 11133706
[(2E)-2-[(2S,3S,5S,6R)-2-[1-(benzenesulfonyl)-2-methylpropan-2-yl]-2-methoxy-3,5-bis(triethylsilyloxy)-6-[[(4R,5R)-2,2,5-trimethyl-1,3-dioxolan-4-yl]methyl]oxan-4-ylidene]ethoxy]-triethylsilane
CID 11491406
(2S,3S,6S)-2-[1-(benzenesulfonyl)-2-methylpropan-2-yl]-6-[(2R,3R)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]butyl]-2-methoxyoxan-3-ol
CID 11787051
[(3aR,4R,5R,6aS)-4-(benzenesulfonylmethyl)-2-methoxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-5-yl]oxy-tert-butyl-dimethylsilane
CID 13845490
[(1R)-1-[(2S,5R)-5-[(2S)-5-(benzenesulfonyl)-2-methyloxolan-2-yl]-2-methyloxolan-2-yl]ethoxy]-tert-butyl-dimethylsilane
CID 52920662
[(2S,4S)-4-(benzenesulfonyl)-2-ethenyl-1,10-dioxaspiro[4.5]dec-6-en-2-yl]methoxy-tert-butyl-dimethylsilane
CID 134840177
(2R,4R)-1-[(2S,3S,4R,5R)-3-(benzenesulfonylmethyl)-5-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-4-methoxyoxolan-2-yl]-6,9-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methyl-3-methylidenenonan-2-ol
CID 134845592
(2S,8S)-3-(benzenesulfonyl)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-8-[(5R)-2,2,5-trimethyl-1,3-dioxan-4-yl]nonan-5-ol
CID 134878901
[(2S,3S)-5-(benzenesulfonyl)-2-(methoxymethoxy)-3-methylpentoxy]-tert-butyl-dimethylsilane
CID 134878980

Frequently Asked Questions

What is the IUPAC name of [(2S,3R,4R)-5-(benzenesulfonyl)-2-[(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methylpentan-3-yl]oxy-tert-butyl-dimethylsilane?
The IUPAC name of [(2S,3R,4R)-5-(benzenesulfonyl)-2-[(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methylpentan-3-yl]oxy-tert-butyl-dimethylsilane (CID 11376890) is [(2S,3R,4R)-5-(benzenesulfonyl)-2-[(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methylpentan-3-yl]oxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(2S,3R,4R)-5-(benzenesulfonyl)-2-[(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methylpentan-3-yl]oxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(2S,3R,4R)-5-(benzenesulfonyl)-2-[(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methylpentan-3-yl]oxy-tert-butyl-dimethylsilane is C[C@H]([C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)CS(=O)(=O)c1ccccc1)[C@@H]1OC(C)(C)O[C@H]1CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(2S,3R,4R)-5-(benzenesulfonyl)-2-[(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methylpentan-3-yl]oxy-tert-butyl-dimethylsilane?
The InChIKey is BBMUTXFTYZTYAB-BILQSEOESA-N. The full InChI is InChI=1S/C30H56O6SSi2/c1-22(21-37(31,32)24-18-16-15-17-19-24)26(36-39(13,14)29(6,7)8)23(2)27-25(34-30(9,10)35-27)20-33-38(11,12)28(3,4)5/h15-19,22-23,25-27H,20-21H2,1-14H3/t22-,23+,25-,26-,27-/m0/s1.
What are the key properties of [(2S,3R,4R)-5-(benzenesulfonyl)-2-[(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methylpentan-3-yl]oxy-tert-butyl-dimethylsilane?
[(2S,3R,4R)-5-(benzenesulfonyl)-2-[(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methylpentan-3-yl]oxy-tert-butyl-dimethylsilane has a molecular weight of 601.01 g/mol, XLogP of 7.66, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3R,4R)-5-(benzenesulfonyl)-2-[(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methylpentan-3-yl]oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 11376890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).