[(2R,3S,4S,5S,6S)-2-[(2R)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-6-methoxy-3,5-dimethyloxan-4-yl] methanesulfonate

C28H42O6SSi — CID 46198060

IUPAC[(2R,3S,4S,5S,6S)-2-[(2R)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-6-methoxy-3,5-dimethyloxan-4-yl] methanesulfonate
SMILESCO[C@H]1O[C@H]([C@H](C)CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H](C)[C@H](OS(C)(=O)=O)[C@@H]1C
InChIInChI=1S/C28H42O6SSi/c1-20(25-21(2)26(34-35(8,29)30)22(3)27(31-7)33-25)19-32-36(28(4,5)6,23-15-11-9-12-16-23)24-17-13-10-14-18-24/h9-18,20-22,25-27H,19H2,1-8H3/t20-,21+,22+,25-,26+,27+/m1/s1
InChIKeyAUSUMBFIAQKFED-XSCZJILHSA-N
MW534.79 g/mol
LogP4.19
Rot. Bonds9

About [(2R,3S,4S,5S,6S)-2-[(2R)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-6-methoxy-3,5-dimethyloxan-4-yl] methanesulfonate

[(2R,3S,4S,5S,6S)-2-[(2R)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-6-methoxy-3,5-dimethyloxan-4-yl] methanesulfonate (PubChem CID 46198060) has the molecular formula C28H42O6SSi and a molecular weight of 534.79 g/mol. Its IUPAC name is [(2R,3S,4S,5S,6S)-2-[(2R)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-6-methoxy-3,5-dimethyloxan-4-yl] methanesulfonate.

Molecular Properties

Compound Name[(2R,3S,4S,5S,6S)-2-[(2R)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-6-methoxy-3,5-dimethyloxan-4-yl] methanesulfonate
PubChem CID46198060
Molecular FormulaC28H42O6SSi
Molecular Weight534.79 g/mol
Exact Mass534.25
IUPAC Name[(2R,3S,4S,5S,6S)-2-[(2R)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-6-methoxy-3,5-dimethyloxan-4-yl] methanesulfonate
SMILESCO[C@H]1O[C@H]([C@H](C)CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H](C)[C@H](OS(C)(=O)=O)[C@@H]1C
InChIInChI=1S/C28H42O6SSi/c1-20(25-21(2)26(34-35(8,29)30)22(3)27(31-7)33-25)19-32-36(28(4,5)6,23-15-11-9-12-16-23)24-17-13-10-14-18-24/h9-18,20-22,25-27H,19H2,1-8H3/t20-,21+,22+,25-,26+,27+/m1/s1
InChIKeyAUSUMBFIAQKFED-XSCZJILHSA-N
XLogP4.19
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500534.79
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

Analyze [(2R,3S,4S,5S,6S)-2-[(2R)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-6-methoxy-3,5-dimethyloxan-4-yl] methanesulfonate with MolForge

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Related Compounds

tert-butyl-[(4R)-4-[(2S,3S,6R,8S,9R)-3,9-dimethyl-8-[(3S)-3-methylpent-4-enyl]-1,7-dioxaspiro[5.5]undecan-2-yl]pentoxy]-diphenylsilane
CID 10054152
tert-butyl-[(2S)-2-[(4R,5S,6R)-6-[(2R)-1-iodopropan-2-yl]-2,2,5-trimethyl-1,3-dioxan-4-yl]propoxy]-diphenylsilane
CID 10875681
[(2R)-2-[(4R,5S,6S)-6-[(2S)-but-3-en-2-yl]-2,2,5-trimethyl-1,3-dioxan-4-yl]propoxy]-tert-butyl-diphenylsilane
CID 14683914
[6-(6-Allyl-4-methoxymethoxy-tetrahydro-pyran-2-yl)-3-methoxy-5-methyl-1-propyl-hexyloxy]-tert-butyl-diphenyl-silane
CID 46844933
(2R,3R,4R)-1-[tert-butyl(diphenyl)silyl]oxy-4-[(4R)-2,2-dimethyl-1,3-dioxan-4-yl]-2-methylpentan-3-ol
CID 134866513
tert-butyl-[(2S,4R)-4-[(4R)-2,2-dimethyl-1,3-dioxan-4-yl]-2-methylpentoxy]-diphenylsilane
CID 134866514
tert-butyl-[[(3R,5S,11R)-5,11-dimethyl-1,7-dioxaspiro[5.5]undecan-3-yl]methoxy]-diphenylsilane
CID 134878144
2-[(1R,2S,3R,5R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methylsulfonyloxy-3-(oxan-2-yloxy)cyclopentyl]ethyl methanesulfonate
CID 134878246
tert-butyl-[3-[(2S,3S)-2-(4,4-dimethoxybutyl)-3-methyl-3,4-dihydro-2H-pyran-6-yl]propoxy]-diphenylsilane
CID 135066881
tert-butyl-[[(2R,3S,6S)-6-methoxy-3-methyl-6-[(3S)-3-[(2S)-oxiran-2-yl]butyl]oxan-2-yl]methoxy]-diphenylsilane
CID 135079817
tert-butyl-diphenyl-[(2S,3S,5S,6R,7S)-3,7,9,9-tetramethoxy-5-(methoxymethoxy)-2,6-dimethylnonoxy]silane
CID 139190266
[(2S)-2-[(4R,5S,6S)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2,2,5-trimethyl-1,3-dioxan-4-yl]propyl] trifluoromethanesulfonate
CID 24881489

Frequently Asked Questions

What is the IUPAC name of [(2R,3S,4S,5S,6S)-2-[(2R)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-6-methoxy-3,5-dimethyloxan-4-yl] methanesulfonate?
The IUPAC name of [(2R,3S,4S,5S,6S)-2-[(2R)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-6-methoxy-3,5-dimethyloxan-4-yl] methanesulfonate (CID 46198060) is [(2R,3S,4S,5S,6S)-2-[(2R)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-6-methoxy-3,5-dimethyloxan-4-yl] methanesulfonate.
What is the SMILES notation for [(2R,3S,4S,5S,6S)-2-[(2R)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-6-methoxy-3,5-dimethyloxan-4-yl] methanesulfonate?
The canonical SMILES for [(2R,3S,4S,5S,6S)-2-[(2R)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-6-methoxy-3,5-dimethyloxan-4-yl] methanesulfonate is CO[C@H]1O[C@H]([C@H](C)CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H](C)[C@H](OS(C)(=O)=O)[C@@H]1C.
What is the InChIKey of [(2R,3S,4S,5S,6S)-2-[(2R)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-6-methoxy-3,5-dimethyloxan-4-yl] methanesulfonate?
The InChIKey is AUSUMBFIAQKFED-XSCZJILHSA-N. The full InChI is InChI=1S/C28H42O6SSi/c1-20(25-21(2)26(34-35(8,29)30)22(3)27(31-7)33-25)19-32-36(28(4,5)6,23-15-11-9-12-16-23)24-17-13-10-14-18-24/h9-18,20-22,25-27H,19H2,1-8H3/t20-,21+,22+,25-,26+,27+/m1/s1.
What are the key properties of [(2R,3S,4S,5S,6S)-2-[(2R)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-6-methoxy-3,5-dimethyloxan-4-yl] methanesulfonate?
[(2R,3S,4S,5S,6S)-2-[(2R)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-6-methoxy-3,5-dimethyloxan-4-yl] methanesulfonate has a molecular weight of 534.79 g/mol, XLogP of 4.19, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S,4S,5S,6S)-2-[(2R)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-6-methoxy-3,5-dimethyloxan-4-yl] methanesulfonate is sourced from PubChem (CID 46198060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).