(R)-[(2R,3S,4aR,6R,8S,8aS)-2-methyl-8-phenylmethoxy-6-(3-phenylmethoxypropyl)-3-triethylsilyloxy-4,4a,6,7,8,8a-hexahydro-3H-pyrano[3,2-b]pyran-2-yl]-[(2R,3S)-2-(benzenesulfonyl)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]oxiran-2-yl]methanol

C58H76O10SSi2 — CID 10534054

IUPAC(R)-[(2R,3S,4aR,6R,8S,8aS)-2-methyl-8-phenylmethoxy-6-(3-phenylmethoxypropyl)-3-triethylsilyloxy-4,4a,6,7,8,8a-hexahydro-3H-pyrano[3,2-b]pyran-2-yl]-[(2R,3S)-2-(benzenesulfonyl)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]oxiran-2-yl]methanol
SMILESCC[Si](CC)(CC)O[C@H]1C[C@H]2O[C@H](CCCOCc3ccccc3)C[C@H](OCc3ccccc3)[C@@H]2O[C@]1(C)[C@@H](O)[C@]1(S(=O)(=O)c2ccccc2)O[C@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C58H76O10SSi2/c1-8-70(9-2,10-3)68-52-40-51-54(50(63-42-45-29-18-12-19-30-45)39-46(65-51)31-26-38-62-41-44-27-16-11-17-28-44)67-57(52,7)55(59)58(69(60,61)47-32-20-13-21-33-47)53(66-58)43-64-71(56(4,5)6,48-34-22-14-23-35-48)49-36-24-15-25-37-49/h11-25,27-30,32-37,46,50-55,59H,8-10,26,31,38-43H2,1-7H3/t46-,50+,51-,52+,53+,54+,55-,57+,58+/m1/s1
InChIKeyCIOFLIISUHPBEU-DIRJVILESA-N
MW1021.48 g/mol
LogP10.17
Rot. Bonds23

About (R)-[(2R,3S,4aR,6R,8S,8aS)-2-methyl-8-phenylmethoxy-6-(3-phenylmethoxypropyl)-3-triethylsilyloxy-4,4a,6,7,8,8a-hexahydro-3H-pyrano[3,2-b]pyran-2-yl]-[(2R,3S)-2-(benzenesulfonyl)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]oxiran-2-yl]methanol

(R)-[(2R,3S,4aR,6R,8S,8aS)-2-methyl-8-phenylmethoxy-6-(3-phenylmethoxypropyl)-3-triethylsilyloxy-4,4a,6,7,8,8a-hexahydro-3H-pyrano[3,2-b]pyran-2-yl]-[(2R,3S)-2-(benzenesulfonyl)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]oxiran-2-yl]methanol (PubChem CID 10534054) has the molecular formula C58H76O10SSi2 and a molecular weight of 1021.48 g/mol. Its IUPAC name is (R)-[(2R,3S,4aR,6R,8S,8aS)-2-methyl-8-phenylmethoxy-6-(3-phenylmethoxypropyl)-3-triethylsilyloxy-4,4a,6,7,8,8a-hexahydro-3H-pyrano[3,2-b]pyran-2-yl]-[(2R,3S)-2-(benzenesulfonyl)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]oxiran-2-yl]methanol.

Molecular Properties

Compound Name(R)-[(2R,3S,4aR,6R,8S,8aS)-2-methyl-8-phenylmethoxy-6-(3-phenylmethoxypropyl)-3-triethylsilyloxy-4,4a,6,7,8,8a-hexahydro-3H-pyrano[3,2-b]pyran-2-yl]-[(2R,3S)-2-(benzenesulfonyl)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]oxiran-2-yl]methanol
PubChem CID10534054
Molecular FormulaC58H76O10SSi2
Molecular Weight1021.48 g/mol
Exact Mass1020.47
IUPAC Name(R)-[(2R,3S,4aR,6R,8S,8aS)-2-methyl-8-phenylmethoxy-6-(3-phenylmethoxypropyl)-3-triethylsilyloxy-4,4a,6,7,8,8a-hexahydro-3H-pyrano[3,2-b]pyran-2-yl]-[(2R,3S)-2-(benzenesulfonyl)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]oxiran-2-yl]methanol
SMILESCC[Si](CC)(CC)O[C@H]1C[C@H]2O[C@H](CCCOCc3ccccc3)C[C@H](OCc3ccccc3)[C@@H]2O[C@]1(C)[C@@H](O)[C@]1(S(=O)(=O)c2ccccc2)O[C@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C58H76O10SSi2/c1-8-70(9-2,10-3)68-52-40-51-54(50(63-42-45-29-18-12-19-30-45)39-46(65-51)31-26-38-62-41-44-27-16-11-17-28-44)67-57(52,7)55(59)58(69(60,61)47-32-20-13-21-33-47)53(66-58)43-64-71(56(4,5)6,48-34-22-14-23-35-48)49-36-24-15-25-37-49/h11-25,27-30,32-37,46,50-55,59H,8-10,26,31,38-43H2,1-7H3/t46-,50+,51-,52+,53+,54+,55-,57+,58+/m1/s1
InChIKeyCIOFLIISUHPBEU-DIRJVILESA-N
XLogP10.17
TPSA122.28 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds23
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001021.48
LogP ≤ 510.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze (R)-[(2R,3S,4aR,6R,8S,8aS)-2-methyl-8-phenylmethoxy-6-(3-phenylmethoxypropyl)-3-triethylsilyloxy-4,4a,6,7,8,8a-hexahydro-3H-pyrano[3,2-b]pyran-2-yl]-[(2R,3S)-2-(benzenesulfonyl)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]oxiran-2-yl]methanol with MolForge

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Launch Full Analysis

Related Compounds

[(2S,3S,5R,6R)-3-[(1S,3R,8R,9R,10S,14S)-6,6-ditert-butyl-12,12-dimethyl-9-tri(propan-2-yl)silyloxy-2,5,7,11,13-pentaoxa-6-silatricyclo[8.4.0.03,8]tetradecan-14-yl]-5-phenylmethoxy-6-phenylsulfanyloxan-2-yl]methanol
CID 102215803
(2R,3R,4R)-4-(benzenesulfonylmethyl)-5-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-(phenylmethoxymethyl)oxolan-3-ol
CID 134844710
(2R,3R,4R,5S)-4-(benzenesulfonylmethyl)-5-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-(phenylmethoxymethyl)oxolan-3-ol
CID 134844711
1-(benzenesulfonyl)-3-[(1S,3R,4S,5R,7R,8S,9S,11R)-4,8-bis[[tert-butyl(dimethyl)silyl]oxy]-5-(phenylmethoxymethyl)-2,6,10-trioxatricyclo[7.4.0.03,7]tridecan-11-yl]-1-[(2R,3S,4R,5R)-5-[(2S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propyl]-4-methoxy-2-prop-2-enyloxolan-3-yl]propan-2-ol
CID 134852540
[(2R,3S,4S,5R,6R)-2-(benzenesulfonyl)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]oxy-ethenyl-dimethylsilane
CID 134882903
[(E,4S)-6-(benzenesulfonyl)-7-[(2R,3R,4R,5S,6R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[(R)-[tert-butyl(dimethyl)silyl]oxy-[(2R,4S,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[4-[tert-butyl(diphenyl)silyl]oxybutyl]-5-methyloxan-2-yl]methyl]-5-methyloxan-2-yl]-1-phenylmethoxyhept-2-en-4-yl]oxy-tert-butyl-dimethylsilane
CID 134886865
(3R)-1-[(2S,3R,4R,4aR,5'R,6R,8aR)-5'-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(methoxymethoxy)-3-phenylmethoxyspiro[3,4,4a,7,8,8a-hexahydro-2H-pyrano[3,2-b]pyran-6,2'-oxolane]-2-yl]-2-(benzenesulfonyl)-3-[(3R,6S)-3-methyl-1,7-dioxaspiro[5.5]undecan-2-yl]butan-1-ol
CID 134982161
2-(benzenesulfonyl)-3-[(2S,3S,4E,6S)-6-[(2R,3R)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]butyl]-4-[2-[tert-butyl(diphenyl)silyl]oxyethylidene]-2-methoxy-3-triethylsilyloxyoxan-2-yl]-1-[(2R,4Z,6S)-4-[2-[tert-butyl(diphenyl)silyl]oxyethylidene]-6-(triethylsilyloxymethyl)oxan-2-yl]-3-methylbutan-1-ol
CID 134982163
tert-butyl-[[(2S,3R)-2-methyl-3-(4-methylphenyl)sulfonyl-3-[[(2R,4S,6R)-4-phenylmethoxy-6-(3-phenylmethoxypropyl)-3-triethylsilyloxyoxan-2-yl]methyl]oxiran-2-yl]methoxy]-diphenylsilane
CID 135074145
[(2R,3S,4aR,6S,7R,8aS)-6-[(E)-3-(benzenesulfonyl)prop-2-enyl]-3-phenylmethoxy-2-(phenylmethoxymethyl)-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-7-yl]oxy-tert-butyl-dimethylsilane
CID 138971278
Bn(-2)[TBDPS(-3)][Bn(-4)]Man(a)-SPh
CID 10628417
(2R,3S,5R,6S)-2-(hydroxymethyl)-6-methyl-6-[(1R)-1-phenylmethoxy-3,3-bis(phenylsulfanyl)propyl]-5-tri(propan-2-yl)silyloxyoxan-3-ol
CID 60007594

Frequently Asked Questions

What is the IUPAC name of (R)-[(2R,3S,4aR,6R,8S,8aS)-2-methyl-8-phenylmethoxy-6-(3-phenylmethoxypropyl)-3-triethylsilyloxy-4,4a,6,7,8,8a-hexahydro-3H-pyrano[3,2-b]pyran-2-yl]-[(2R,3S)-2-(benzenesulfonyl)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]oxiran-2-yl]methanol?
The IUPAC name of (R)-[(2R,3S,4aR,6R,8S,8aS)-2-methyl-8-phenylmethoxy-6-(3-phenylmethoxypropyl)-3-triethylsilyloxy-4,4a,6,7,8,8a-hexahydro-3H-pyrano[3,2-b]pyran-2-yl]-[(2R,3S)-2-(benzenesulfonyl)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]oxiran-2-yl]methanol (CID 10534054) is (R)-[(2R,3S,4aR,6R,8S,8aS)-2-methyl-8-phenylmethoxy-6-(3-phenylmethoxypropyl)-3-triethylsilyloxy-4,4a,6,7,8,8a-hexahydro-3H-pyrano[3,2-b]pyran-2-yl]-[(2R,3S)-2-(benzenesulfonyl)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]oxiran-2-yl]methanol.
What is the SMILES notation for (R)-[(2R,3S,4aR,6R,8S,8aS)-2-methyl-8-phenylmethoxy-6-(3-phenylmethoxypropyl)-3-triethylsilyloxy-4,4a,6,7,8,8a-hexahydro-3H-pyrano[3,2-b]pyran-2-yl]-[(2R,3S)-2-(benzenesulfonyl)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]oxiran-2-yl]methanol?
The canonical SMILES for (R)-[(2R,3S,4aR,6R,8S,8aS)-2-methyl-8-phenylmethoxy-6-(3-phenylmethoxypropyl)-3-triethylsilyloxy-4,4a,6,7,8,8a-hexahydro-3H-pyrano[3,2-b]pyran-2-yl]-[(2R,3S)-2-(benzenesulfonyl)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]oxiran-2-yl]methanol is CC[Si](CC)(CC)O[C@H]1C[C@H]2O[C@H](CCCOCc3ccccc3)C[C@H](OCc3ccccc3)[C@@H]2O[C@]1(C)[C@@H](O)[C@]1(S(=O)(=O)c2ccccc2)O[C@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of (R)-[(2R,3S,4aR,6R,8S,8aS)-2-methyl-8-phenylmethoxy-6-(3-phenylmethoxypropyl)-3-triethylsilyloxy-4,4a,6,7,8,8a-hexahydro-3H-pyrano[3,2-b]pyran-2-yl]-[(2R,3S)-2-(benzenesulfonyl)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]oxiran-2-yl]methanol?
The InChIKey is CIOFLIISUHPBEU-DIRJVILESA-N. The full InChI is InChI=1S/C58H76O10SSi2/c1-8-70(9-2,10-3)68-52-40-51-54(50(63-42-45-29-18-12-19-30-45)39-46(65-51)31-26-38-62-41-44-27-16-11-17-28-44)67-57(52,7)55(59)58(69(60,61)47-32-20-13-21-33-47)53(66-58)43-64-71(56(4,5)6,48-34-22-14-23-35-48)49-36-24-15-25-37-49/h11-25,27-30,32-37,46,50-55,59H,8-10,26,31,38-43H2,1-7H3/t46-,50+,51-,52+,53+,54+,55-,57+,58+/m1/s1.
What are the key properties of (R)-[(2R,3S,4aR,6R,8S,8aS)-2-methyl-8-phenylmethoxy-6-(3-phenylmethoxypropyl)-3-triethylsilyloxy-4,4a,6,7,8,8a-hexahydro-3H-pyrano[3,2-b]pyran-2-yl]-[(2R,3S)-2-(benzenesulfonyl)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]oxiran-2-yl]methanol?
(R)-[(2R,3S,4aR,6R,8S,8aS)-2-methyl-8-phenylmethoxy-6-(3-phenylmethoxypropyl)-3-triethylsilyloxy-4,4a,6,7,8,8a-hexahydro-3H-pyrano[3,2-b]pyran-2-yl]-[(2R,3S)-2-(benzenesulfonyl)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]oxiran-2-yl]methanol has a molecular weight of 1021.48 g/mol, XLogP of 10.17, 23 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-[(2R,3S,4aR,6R,8S,8aS)-2-methyl-8-phenylmethoxy-6-(3-phenylmethoxypropyl)-3-triethylsilyloxy-4,4a,6,7,8,8a-hexahydro-3H-pyrano[3,2-b]pyran-2-yl]-[(2R,3S)-2-(benzenesulfonyl)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]oxiran-2-yl]methanol is sourced from PubChem (CID 10534054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).