[(2R,3S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-dimethylphosphoryloxolan-2-yl]methyl methanesulfonate

C14H31O6PSSi — CID 59909283

IUPAC[(2R,3S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-dimethylphosphoryloxolan-2-yl]methyl methanesulfonate
SMILESCC(C)(C)[Si](C)(C)O[C@H]1C[C@H](P(C)(C)=O)O[C@@H]1COS(C)(=O)=O
InChIInChI=1S/C14H31O6PSSi/c1-14(2,3)23(7,8)20-11-9-13(21(4,5)15)19-12(11)10-18-22(6,16)17/h11-13H,9-10H2,1-8H3/t11-,12+,13-/m0/s1
InChIKeyPEUMWOUDVKZSLV-XQQFMLRXSA-N
MW386.52 g/mol
LogP3.09
Rot. Bonds6

About [(2R,3S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-dimethylphosphoryloxolan-2-yl]methyl methanesulfonate

[(2R,3S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-dimethylphosphoryloxolan-2-yl]methyl methanesulfonate (PubChem CID 59909283) has the molecular formula C14H31O6PSSi and a molecular weight of 386.52 g/mol. Its IUPAC name is [(2R,3S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-dimethylphosphoryloxolan-2-yl]methyl methanesulfonate.

Molecular Properties

Compound Name[(2R,3S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-dimethylphosphoryloxolan-2-yl]methyl methanesulfonate
PubChem CID59909283
Molecular FormulaC14H31O6PSSi
Molecular Weight386.52 g/mol
Exact Mass386.13
IUPAC Name[(2R,3S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-dimethylphosphoryloxolan-2-yl]methyl methanesulfonate
SMILESCC(C)(C)[Si](C)(C)O[C@H]1C[C@H](P(C)(C)=O)O[C@@H]1COS(C)(=O)=O
InChIInChI=1S/C14H31O6PSSi/c1-14(2,3)23(7,8)20-11-9-13(21(4,5)15)19-12(11)10-18-22(6,16)17/h11-13H,9-10H2,1-8H3/t11-,12+,13-/m0/s1
InChIKeyPEUMWOUDVKZSLV-XQQFMLRXSA-N
XLogP3.09
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(2R,3S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-dimethylphosphoryloxolan-2-yl]methyl methanesulfonate?
The IUPAC name of [(2R,3S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-dimethylphosphoryloxolan-2-yl]methyl methanesulfonate (CID 59909283) is [(2R,3S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-dimethylphosphoryloxolan-2-yl]methyl methanesulfonate.
What is the SMILES notation for [(2R,3S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-dimethylphosphoryloxolan-2-yl]methyl methanesulfonate?
The canonical SMILES for [(2R,3S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-dimethylphosphoryloxolan-2-yl]methyl methanesulfonate is CC(C)(C)[Si](C)(C)O[C@H]1C[C@H](P(C)(C)=O)O[C@@H]1COS(C)(=O)=O.
What is the InChIKey of [(2R,3S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-dimethylphosphoryloxolan-2-yl]methyl methanesulfonate?
The InChIKey is PEUMWOUDVKZSLV-XQQFMLRXSA-N. The full InChI is InChI=1S/C14H31O6PSSi/c1-14(2,3)23(7,8)20-11-9-13(21(4,5)15)19-12(11)10-18-22(6,16)17/h11-13H,9-10H2,1-8H3/t11-,12+,13-/m0/s1.
What are the key properties of [(2R,3S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-dimethylphosphoryloxolan-2-yl]methyl methanesulfonate?
[(2R,3S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-dimethylphosphoryloxolan-2-yl]methyl methanesulfonate has a molecular weight of 386.52 g/mol, XLogP of 3.09, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-dimethylphosphoryloxolan-2-yl]methyl methanesulfonate is sourced from PubChem (CID 59909283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).