(2R,3R,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-phenylsulfanyl-3-triethylsilyloxyoxan-4-one

C24H42O4SSi2 — CID 24766896

IUPAC(2R,3R,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-phenylsulfanyl-3-triethylsilyloxyoxan-4-one
SMILESCC[Si](CC)(CC)O[C@H]1C(=O)C[C@@H](Sc2ccccc2)O[C@@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C24H42O4SSi2/c1-9-31(10-2,11-3)28-23-20(25)17-22(29-19-15-13-12-14-16-19)27-21(23)18-26-30(7,8)24(4,5)6/h12-16,21-23H,9-11,17-18H2,1-8H3/t21-,22-,23+/m1/s1
InChIKeyJZEANZHNEDFGQG-ZLNRFVROSA-N
MW482.84 g/mol
LogP6.88
Rot. Bonds10

About (2R,3R,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-phenylsulfanyl-3-triethylsilyloxyoxan-4-one

(2R,3R,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-phenylsulfanyl-3-triethylsilyloxyoxan-4-one (PubChem CID 24766896) has the molecular formula C24H42O4SSi2 and a molecular weight of 482.84 g/mol. Its IUPAC name is (2R,3R,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-phenylsulfanyl-3-triethylsilyloxyoxan-4-one.

Molecular Properties

Compound Name(2R,3R,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-phenylsulfanyl-3-triethylsilyloxyoxan-4-one
PubChem CID24766896
Molecular FormulaC24H42O4SSi2
Molecular Weight482.84 g/mol
Exact Mass482.23
IUPAC Name(2R,3R,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-phenylsulfanyl-3-triethylsilyloxyoxan-4-one
SMILESCC[Si](CC)(CC)O[C@H]1C(=O)C[C@@H](Sc2ccccc2)O[C@@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C24H42O4SSi2/c1-9-31(10-2,11-3)28-23-20(25)17-22(29-19-15-13-12-14-16-19)27-21(23)18-26-30(7,8)24(4,5)6/h12-16,21-23H,9-11,17-18H2,1-8H3/t21-,22-,23+/m1/s1
InChIKeyJZEANZHNEDFGQG-ZLNRFVROSA-N
XLogP6.88
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.84
LogP ≤ 56.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

TBDMS(-2)[TBDMS(-3)][TBDMS(-4)]Xyl(b)-SPh
CID 11410668
methyl (5aR,6S,8S,9aS)-9-oxo-8-phenylsulfanyl-2,2,4,4-tetra(propan-2-yl)-6,9a-dihydro-5aH-pyrano[3,4-f][1,3,5,2,4]trioxadisilepine-6-carboxylate
CID 15885710
[(3S,4R,5S,6S)-2-(benzenesulfinyl)-3-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-6-methyloxan-4-yl]oxy-tert-butyl-dimethylsilane
CID 102281305
phenyl 2-O-acetyl-3,4-bis-O-(triethylsilyl)-1-thio-beta-l-arabinopyranoside
CID 129755566
[(2S,3R,4S,5S,6S)-2-(benzenesulfinyl)-5-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-6-methyloxan-4-yl]oxy-tert-butyl-dimethylsilane
CID 132575049
TBDMS(-2)[TBDMS(-3)][TBDMS(-6)]Glc4Ac-SPh
CID 134878426
TBDMS(-3)[TBDMS(-4)][TBDMS(-6)]2-deoxy-D-araHex(a)-Bes
CID 134878493
TBDMS(-3)[Et(-4)][TBDMS(-6)]2-deoxy-D-araHex(b)-Bes
CID 134882863
TBDMS(-3)[TBDMS(-4)][TBDMS(-6)]2-deoxy-D-araHex-Bes
CID 134882885
methyl (5aR,6S,8R,9aS)-9-oxo-8-phenylsulfanyl-2,2,4,4-tetra(propan-2-yl)-6,9a-dihydro-5aH-pyrano[3,4-f][1,3,5,2,4]trioxadisilepine-6-carboxylate
CID 134882978
[(2R,3R,4R,6R)-6-(benzenesulfonyl)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-deuteriooxan-2-yl]methoxy-tert-butyl-dimethylsilane
CID 134937451
[(2R,3R,4R,6S)-6-(benzenesulfonyl)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-deuteriooxan-2-yl]methoxy-tert-butyl-dimethylsilane
CID 134937815

Frequently Asked Questions

What is the IUPAC name of (2R,3R,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-phenylsulfanyl-3-triethylsilyloxyoxan-4-one?
The IUPAC name of (2R,3R,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-phenylsulfanyl-3-triethylsilyloxyoxan-4-one (CID 24766896) is (2R,3R,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-phenylsulfanyl-3-triethylsilyloxyoxan-4-one.
What is the SMILES notation for (2R,3R,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-phenylsulfanyl-3-triethylsilyloxyoxan-4-one?
The canonical SMILES for (2R,3R,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-phenylsulfanyl-3-triethylsilyloxyoxan-4-one is CC[Si](CC)(CC)O[C@H]1C(=O)C[C@@H](Sc2ccccc2)O[C@@H]1CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2R,3R,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-phenylsulfanyl-3-triethylsilyloxyoxan-4-one?
The InChIKey is JZEANZHNEDFGQG-ZLNRFVROSA-N. The full InChI is InChI=1S/C24H42O4SSi2/c1-9-31(10-2,11-3)28-23-20(25)17-22(29-19-15-13-12-14-16-19)27-21(23)18-26-30(7,8)24(4,5)6/h12-16,21-23H,9-11,17-18H2,1-8H3/t21-,22-,23+/m1/s1.
What are the key properties of (2R,3R,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-phenylsulfanyl-3-triethylsilyloxyoxan-4-one?
(2R,3R,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-phenylsulfanyl-3-triethylsilyloxyoxan-4-one has a molecular weight of 482.84 g/mol, XLogP of 6.88, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-phenylsulfanyl-3-triethylsilyloxyoxan-4-one is sourced from PubChem (CID 24766896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).