[(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(2R,5R)-5-[(2S,5R)-5-[(1R)-1-[tert-butyl(diphenyl)silyl]oxyundecyl]oxolan-2-yl]oxolan-2-yl]ethyl] methanesulfonate

C44H74O7SSi2 — CID 10700553

IUPAC[(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(2R,5R)-5-[(2S,5R)-5-[(1R)-1-[tert-butyl(diphenyl)silyl]oxyundecyl]oxolan-2-yl]oxolan-2-yl]ethyl] methanesulfonate
SMILESCCCCCCCCCC[C@@H](O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@H]1CC[C@@H]([C@H]2CC[C@H]([C@H](CO[Si](C)(C)C(C)(C)C)OS(C)(=O)=O)O2)O1
InChIInChI=1S/C44H74O7SSi2/c1-11-12-13-14-15-16-17-24-29-41(51-54(44(5,6)7,35-25-20-18-21-26-35)36-27-22-19-23-28-36)39-32-30-37(48-39)38-31-33-40(49-38)42(50-52(8,45)46)34-47-53(9,10)43(2,3)4/h18-23,25-28,37-42H,11-17,24,29-34H2,1-10H3/t37-,38+,39+,40+,41+,42-/m0/s1
InChIKeyCIGBWCNMRSFYGZ-GKMBSBAISA-N
MW803.31 g/mol
LogP9.92
Rot. Bonds21

About [(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(2R,5R)-5-[(2S,5R)-5-[(1R)-1-[tert-butyl(diphenyl)silyl]oxyundecyl]oxolan-2-yl]oxolan-2-yl]ethyl] methanesulfonate

[(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(2R,5R)-5-[(2S,5R)-5-[(1R)-1-[tert-butyl(diphenyl)silyl]oxyundecyl]oxolan-2-yl]oxolan-2-yl]ethyl] methanesulfonate (PubChem CID 10700553) has the molecular formula C44H74O7SSi2 and a molecular weight of 803.31 g/mol. Its IUPAC name is [(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(2R,5R)-5-[(2S,5R)-5-[(1R)-1-[tert-butyl(diphenyl)silyl]oxyundecyl]oxolan-2-yl]oxolan-2-yl]ethyl] methanesulfonate.

Molecular Properties

Compound Name[(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(2R,5R)-5-[(2S,5R)-5-[(1R)-1-[tert-butyl(diphenyl)silyl]oxyundecyl]oxolan-2-yl]oxolan-2-yl]ethyl] methanesulfonate
PubChem CID10700553
Molecular FormulaC44H74O7SSi2
Molecular Weight803.31 g/mol
Exact Mass802.47
IUPAC Name[(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(2R,5R)-5-[(2S,5R)-5-[(1R)-1-[tert-butyl(diphenyl)silyl]oxyundecyl]oxolan-2-yl]oxolan-2-yl]ethyl] methanesulfonate
SMILESCCCCCCCCCC[C@@H](O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@H]1CC[C@@H]([C@H]2CC[C@H]([C@H](CO[Si](C)(C)C(C)(C)C)OS(C)(=O)=O)O2)O1
InChIInChI=1S/C44H74O7SSi2/c1-11-12-13-14-15-16-17-24-29-41(51-54(44(5,6)7,35-25-20-18-21-26-35)36-27-22-19-23-28-36)39-32-30-37(48-39)38-31-33-40(49-38)42(50-52(8,45)46)34-47-53(9,10)43(2,3)4/h18-23,25-28,37-42H,11-17,24,29-34H2,1-10H3/t37-,38+,39+,40+,41+,42-/m0/s1
InChIKeyCIGBWCNMRSFYGZ-GKMBSBAISA-N
XLogP9.92
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds21
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500803.31
LogP ≤ 59.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze [(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(2R,5R)-5-[(2S,5R)-5-[(1R)-1-[tert-butyl(diphenyl)silyl]oxyundecyl]oxolan-2-yl]oxolan-2-yl]ethyl] methanesulfonate with MolForge

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Related Compounds

[(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(2R,5R)-5-[(2R,5R)-5-[(1S)-1-(methoxymethoxy)tridecyl]oxolan-2-yl]oxolan-2-yl]ethyl] methanesulfonate
CID 10604124
tert-butyl-[(1R)-1-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]tridecoxy]-diphenylsilane
CID 102211926
(5S)-5-[(2S,5S)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxytridecyl]oxolan-2-yl]oxolan-2-one
CID 11488203
tert-butyl-[1-[tert-butyl(dimethyl)silyl]oxyundecan-3-yloxy]-diphenylsilane
CID 156806459
[(2S,5S)-5-[(2S,5S)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxytridecyl]oxolan-2-yl]oxolan-2-yl]methanol
CID 101359698
(15R)-15-[(2R,5R)-5-[(2R,5R)-5-[(1R,5S)-1,5-bis[[tert-butyl(dimethyl)silyl]oxy]undecyl]oxolan-2-yl]oxolan-2-yl]-15-[tert-butyl(dimethyl)silyl]oxypentadecanoic acid
CID 10985839
tert-butyl-[(1S)-1-(furan-2-yl)tridecoxy]-diphenylsilane
CID 71816566
tert-butyl-diphenyl-tetradecan-2-yloxysilane
CID 71344239
(2S)-2-[tert-butyl(diphenyl)silyl]oxyheptanal
CID 10937503
tert-butyl-[(2S,6S)-2,6-dimethyltridecoxy]-diphenylsilane
CID 11634122
[(2R,5S)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxytridecyl]oxolan-2-yl]methanol
CID 102271844
[(2R)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl] methanesulfonate
CID 140814430

Frequently Asked Questions

What is the IUPAC name of [(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(2R,5R)-5-[(2S,5R)-5-[(1R)-1-[tert-butyl(diphenyl)silyl]oxyundecyl]oxolan-2-yl]oxolan-2-yl]ethyl] methanesulfonate?
The IUPAC name of [(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(2R,5R)-5-[(2S,5R)-5-[(1R)-1-[tert-butyl(diphenyl)silyl]oxyundecyl]oxolan-2-yl]oxolan-2-yl]ethyl] methanesulfonate (CID 10700553) is [(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(2R,5R)-5-[(2S,5R)-5-[(1R)-1-[tert-butyl(diphenyl)silyl]oxyundecyl]oxolan-2-yl]oxolan-2-yl]ethyl] methanesulfonate.
What is the SMILES notation for [(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(2R,5R)-5-[(2S,5R)-5-[(1R)-1-[tert-butyl(diphenyl)silyl]oxyundecyl]oxolan-2-yl]oxolan-2-yl]ethyl] methanesulfonate?
The canonical SMILES for [(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(2R,5R)-5-[(2S,5R)-5-[(1R)-1-[tert-butyl(diphenyl)silyl]oxyundecyl]oxolan-2-yl]oxolan-2-yl]ethyl] methanesulfonate is CCCCCCCCCC[C@@H](O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@H]1CC[C@@H]([C@H]2CC[C@H]([C@H](CO[Si](C)(C)C(C)(C)C)OS(C)(=O)=O)O2)O1.
What is the InChIKey of [(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(2R,5R)-5-[(2S,5R)-5-[(1R)-1-[tert-butyl(diphenyl)silyl]oxyundecyl]oxolan-2-yl]oxolan-2-yl]ethyl] methanesulfonate?
The InChIKey is CIGBWCNMRSFYGZ-GKMBSBAISA-N. The full InChI is InChI=1S/C44H74O7SSi2/c1-11-12-13-14-15-16-17-24-29-41(51-54(44(5,6)7,35-25-20-18-21-26-35)36-27-22-19-23-28-36)39-32-30-37(48-39)38-31-33-40(49-38)42(50-52(8,45)46)34-47-53(9,10)43(2,3)4/h18-23,25-28,37-42H,11-17,24,29-34H2,1-10H3/t37-,38+,39+,40+,41+,42-/m0/s1.
What are the key properties of [(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(2R,5R)-5-[(2S,5R)-5-[(1R)-1-[tert-butyl(diphenyl)silyl]oxyundecyl]oxolan-2-yl]oxolan-2-yl]ethyl] methanesulfonate?
[(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(2R,5R)-5-[(2S,5R)-5-[(1R)-1-[tert-butyl(diphenyl)silyl]oxyundecyl]oxolan-2-yl]oxolan-2-yl]ethyl] methanesulfonate has a molecular weight of 803.31 g/mol, XLogP of 9.92, 21 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(2R,5R)-5-[(2S,5R)-5-[(1R)-1-[tert-butyl(diphenyl)silyl]oxyundecyl]oxolan-2-yl]oxolan-2-yl]ethyl] methanesulfonate is sourced from PubChem (CID 10700553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).