tert-butyl-[(2R)-2-[(4S,5S)-2,2-dimethyl-5-phenylsulfanyl-1,3-dioxolan-4-yl]-2-[3-[(2S,3R,4S,5R,6S)-6-methoxy-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxan-3-yl]prop-1-en-2-yloxy]ethoxy]-diphenylsilane

C60H70O9SSi — CID 10953163

IUPACtert-butyl-[(2R)-2-[(4S,5S)-2,2-dimethyl-5-phenylsulfanyl-1,3-dioxolan-4-yl]-2-[3-[(2S,3R,4S,5R,6S)-6-methoxy-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxan-3-yl]prop-1-en-2-yloxy]ethoxy]-diphenylsilane
SMILESC=C(C[C@H]1[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H](OC)O[C@@H]1COCc1ccccc1)O[C@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@@H]1OC(C)(C)O[C@H]1Sc1ccccc1
InChIInChI=1S/C60H70O9SSi/c1-44(38-51-52(42-62-39-45-26-14-8-15-27-45)67-57(61-7)56(64-41-47-30-18-10-19-31-47)54(51)63-40-46-28-16-9-17-29-46)66-53(55-58(69-60(5,6)68-55)70-48-32-20-11-21-33-48)43-65-71(59(2,3)4,49-34-22-12-23-35-49)50-36-24-13-25-37-50/h8-37,51-58H,1,38-43H2,2-7H3/t51-,52-,53-,54+,55+,56-,57+,58+/m1/s1
InChIKeyJETUWSDBHFDRRM-VRAPDRTGSA-N
MW995.36 g/mol
LogP11.50
Rot. Bonds23

About tert-butyl-[(2R)-2-[(4S,5S)-2,2-dimethyl-5-phenylsulfanyl-1,3-dioxolan-4-yl]-2-[3-[(2S,3R,4S,5R,6S)-6-methoxy-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxan-3-yl]prop-1-en-2-yloxy]ethoxy]-diphenylsilane

tert-butyl-[(2R)-2-[(4S,5S)-2,2-dimethyl-5-phenylsulfanyl-1,3-dioxolan-4-yl]-2-[3-[(2S,3R,4S,5R,6S)-6-methoxy-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxan-3-yl]prop-1-en-2-yloxy]ethoxy]-diphenylsilane (PubChem CID 10953163) has the molecular formula C60H70O9SSi and a molecular weight of 995.36 g/mol. Its IUPAC name is tert-butyl-[(2R)-2-[(4S,5S)-2,2-dimethyl-5-phenylsulfanyl-1,3-dioxolan-4-yl]-2-[3-[(2S,3R,4S,5R,6S)-6-methoxy-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxan-3-yl]prop-1-en-2-yloxy]ethoxy]-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[(2R)-2-[(4S,5S)-2,2-dimethyl-5-phenylsulfanyl-1,3-dioxolan-4-yl]-2-[3-[(2S,3R,4S,5R,6S)-6-methoxy-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxan-3-yl]prop-1-en-2-yloxy]ethoxy]-diphenylsilane
PubChem CID10953163
Molecular FormulaC60H70O9SSi
Molecular Weight995.36 g/mol
Exact Mass994.45
IUPAC Nametert-butyl-[(2R)-2-[(4S,5S)-2,2-dimethyl-5-phenylsulfanyl-1,3-dioxolan-4-yl]-2-[3-[(2S,3R,4S,5R,6S)-6-methoxy-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxan-3-yl]prop-1-en-2-yloxy]ethoxy]-diphenylsilane
SMILESC=C(C[C@H]1[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H](OC)O[C@@H]1COCc1ccccc1)O[C@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@@H]1OC(C)(C)O[C@H]1Sc1ccccc1
InChIInChI=1S/C60H70O9SSi/c1-44(38-51-52(42-62-39-45-26-14-8-15-27-45)67-57(61-7)56(64-41-47-30-18-10-19-31-47)54(51)63-40-46-28-16-9-17-29-46)66-53(55-58(69-60(5,6)68-55)70-48-32-20-11-21-33-48)43-65-71(59(2,3)4,49-34-22-12-23-35-49)50-36-24-13-25-37-50/h8-37,51-58H,1,38-43H2,2-7H3/t51-,52-,53-,54+,55+,56-,57+,58+/m1/s1
InChIKeyJETUWSDBHFDRRM-VRAPDRTGSA-N
XLogP11.50
TPSA83.07 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds23
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500995.36
LogP ≤ 511.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze tert-butyl-[(2R)-2-[(4S,5S)-2,2-dimethyl-5-phenylsulfanyl-1,3-dioxolan-4-yl]-2-[3-[(2S,3R,4S,5R,6S)-6-methoxy-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxan-3-yl]prop-1-en-2-yloxy]ethoxy]-diphenylsilane with MolForge

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Related Compounds

beta-D-Glucopyranoside, phenyl 2,3,4,6-tetrakis-O-(phenylmethyl)-1-thio-
CID 11104158
Alpha-d-mannopyranoside, phenyl 2,3,4,6-tetrakis-o-(phenylmethyl)-1-thio-
CID 563133
(2R,3S,4S,5R,6S)-3,4,5-Tris(benzyloxy)-2-((benzyloxy)methyl)-6-(phenylthio)tetrahydro-2H-pyran
CID 11104159
Phenyl bzac4Glu
CID 16131344
(2R,3S,4S,5R,6S)-3,4,5-tris(Benzyloxy)-2-((benzyloxy)methyl)-6-(p-tolylthio)tetrahydro-2H-pyran
CID 11050551
tert-butyldiphenyl(((2R,3R,4S,5R,6S)-3,4,5-tris(benzyloxy)-6-(phenylthio)tetrahydro-2H-pyran-2-yl)methoxy)silane
CID 11505988
phenyl 2,3,4,6-tetra-O-benzyl-1-thio-d-mannopyranoside
CID 21097687
Phenyl 2,3,4,6-Tetra-O-benzyl-1-thio-beta-D-galactopyranoside
CID 46782749
2-[(3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)thian-2-yl]oxyoxane
CID 59141073
(3R,6S)-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)-6-phenylsulfanyloxane
CID 134975268
(6R,8aR)-2-phenyl-7,8-bis(phenylmethoxy)-6-phenylsulfanyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine
CID 135035711
D-Glucopyranoside, phenyl-2,3,4,6-tetra-O-benzyl-1-thio-
CID 11296621

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(2R)-2-[(4S,5S)-2,2-dimethyl-5-phenylsulfanyl-1,3-dioxolan-4-yl]-2-[3-[(2S,3R,4S,5R,6S)-6-methoxy-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxan-3-yl]prop-1-en-2-yloxy]ethoxy]-diphenylsilane?
The IUPAC name of tert-butyl-[(2R)-2-[(4S,5S)-2,2-dimethyl-5-phenylsulfanyl-1,3-dioxolan-4-yl]-2-[3-[(2S,3R,4S,5R,6S)-6-methoxy-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxan-3-yl]prop-1-en-2-yloxy]ethoxy]-diphenylsilane (CID 10953163) is tert-butyl-[(2R)-2-[(4S,5S)-2,2-dimethyl-5-phenylsulfanyl-1,3-dioxolan-4-yl]-2-[3-[(2S,3R,4S,5R,6S)-6-methoxy-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxan-3-yl]prop-1-en-2-yloxy]ethoxy]-diphenylsilane.
What is the SMILES notation for tert-butyl-[(2R)-2-[(4S,5S)-2,2-dimethyl-5-phenylsulfanyl-1,3-dioxolan-4-yl]-2-[3-[(2S,3R,4S,5R,6S)-6-methoxy-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxan-3-yl]prop-1-en-2-yloxy]ethoxy]-diphenylsilane?
The canonical SMILES for tert-butyl-[(2R)-2-[(4S,5S)-2,2-dimethyl-5-phenylsulfanyl-1,3-dioxolan-4-yl]-2-[3-[(2S,3R,4S,5R,6S)-6-methoxy-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxan-3-yl]prop-1-en-2-yloxy]ethoxy]-diphenylsilane is C=C(C[C@H]1[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H](OC)O[C@@H]1COCc1ccccc1)O[C@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@@H]1OC(C)(C)O[C@H]1Sc1ccccc1.
What is the InChIKey of tert-butyl-[(2R)-2-[(4S,5S)-2,2-dimethyl-5-phenylsulfanyl-1,3-dioxolan-4-yl]-2-[3-[(2S,3R,4S,5R,6S)-6-methoxy-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxan-3-yl]prop-1-en-2-yloxy]ethoxy]-diphenylsilane?
The InChIKey is JETUWSDBHFDRRM-VRAPDRTGSA-N. The full InChI is InChI=1S/C60H70O9SSi/c1-44(38-51-52(42-62-39-45-26-14-8-15-27-45)67-57(61-7)56(64-41-47-30-18-10-19-31-47)54(51)63-40-46-28-16-9-17-29-46)66-53(55-58(69-60(5,6)68-55)70-48-32-20-11-21-33-48)43-65-71(59(2,3)4,49-34-22-12-23-35-49)50-36-24-13-25-37-50/h8-37,51-58H,1,38-43H2,2-7H3/t51-,52-,53-,54+,55+,56-,57+,58+/m1/s1.
What are the key properties of tert-butyl-[(2R)-2-[(4S,5S)-2,2-dimethyl-5-phenylsulfanyl-1,3-dioxolan-4-yl]-2-[3-[(2S,3R,4S,5R,6S)-6-methoxy-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxan-3-yl]prop-1-en-2-yloxy]ethoxy]-diphenylsilane?
tert-butyl-[(2R)-2-[(4S,5S)-2,2-dimethyl-5-phenylsulfanyl-1,3-dioxolan-4-yl]-2-[3-[(2S,3R,4S,5R,6S)-6-methoxy-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxan-3-yl]prop-1-en-2-yloxy]ethoxy]-diphenylsilane has a molecular weight of 995.36 g/mol, XLogP of 11.50, 23 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2R)-2-[(4S,5S)-2,2-dimethyl-5-phenylsulfanyl-1,3-dioxolan-4-yl]-2-[3-[(2S,3R,4S,5R,6S)-6-methoxy-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxan-3-yl]prop-1-en-2-yloxy]ethoxy]-diphenylsilane is sourced from PubChem (CID 10953163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).