1-[(2R,3R,5R,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-2-methyl-3-trimethylsilyloxyoxan-3-yl]ethanone

C18H38O5Si2 — CID 10949186

IUPAC1-[(2R,3R,5R,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-2-methyl-3-trimethylsilyloxyoxan-3-yl]ethanone
SMILESCO[C@H]1O[C@H](C)[C@@](O[Si](C)(C)C)(C(C)=O)C[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H38O5Si2/c1-13(19)18(23-24(7,8)9)12-15(16(20-6)21-14(18)2)22-25(10,11)17(3,4)5/h14-16H,12H2,1-11H3/t14-,15-,16+,18+/m1/s1
InChIKeyWHZOHQQLDDIJMF-CBZIJGRNSA-N
MW390.67 g/mol
LogP4.34
Rot. Bonds6

About 1-[(2R,3R,5R,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-2-methyl-3-trimethylsilyloxyoxan-3-yl]ethanone

1-[(2R,3R,5R,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-2-methyl-3-trimethylsilyloxyoxan-3-yl]ethanone (PubChem CID 10949186) has the molecular formula C18H38O5Si2 and a molecular weight of 390.67 g/mol. Its IUPAC name is 1-[(2R,3R,5R,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-2-methyl-3-trimethylsilyloxyoxan-3-yl]ethanone.

Molecular Properties

Compound Name1-[(2R,3R,5R,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-2-methyl-3-trimethylsilyloxyoxan-3-yl]ethanone
PubChem CID10949186
Molecular FormulaC18H38O5Si2
Molecular Weight390.67 g/mol
Exact Mass390.23
IUPAC Name1-[(2R,3R,5R,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-2-methyl-3-trimethylsilyloxyoxan-3-yl]ethanone
SMILESCO[C@H]1O[C@H](C)[C@@](O[Si](C)(C)C)(C(C)=O)C[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H38O5Si2/c1-13(19)18(23-24(7,8)9)12-15(16(20-6)21-14(18)2)22-25(10,11)17(3,4)5/h14-16H,12H2,1-11H3/t14-,15-,16+,18+/m1/s1
InChIKeyWHZOHQQLDDIJMF-CBZIJGRNSA-N
XLogP4.34
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.67
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

D(+)-Turanose, TMS
CID 22296522
D-Leucrose, TMS
CID 91750478
[(2S,3R,6R)-6-[(2-methylpropan-2-yl)oxy]-5-oxo-2-(tributylsilyloxymethyl)oxan-3-yl]methyl 2,2-dimethylpropanoate
CID 134884325
Maltulose TMS, #1
CID 91747577
Turanose 8tms-2
CID 91750418
Isopentyl glucuronide, TMS
CID 91752376
(S)-2-Methylbutyl glucuronide, TMS
CID 91752396
TMS(-2)[TMS(-3)][TMS(-4)][TMS(-6)]Hex(?1-6)[TMS(-3)][TMS(-4)][TMS(-5)]keto-Hex2ulo-O-TMS
CID 612384
TMS(-2)[TMS(-3)][TMS(-4)][TMS(-6)]Hex(?1-3)[TMS(-4)][TMS(-5)][TMS(-6)]keto-Hex2ulo-O-TMS
CID 632327
D-Fructose, 6-O-[2,3,4,6-tetrakis-O-(trimethylsilyl)-alpha-D-glucopyranosyl]-1,3,4,5-tetrakis-O-(trimethylsilyl)-
CID 91735152
D-Fructose, 3-O-[2,3,4,6-tetrakis-O-(trimethylsilyl)-alpha-D-glucopyranosyl]-1,4,5,6-tetrakis-O-(trimethylsilyl)-
CID 91743874
(3R,4S,5R,6R)-3-methyl-3,4,5,6-tetrakis(trimethylsilyloxy)oxan-2-one
CID 152368333

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,3R,5R,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-2-methyl-3-trimethylsilyloxyoxan-3-yl]ethanone?
The IUPAC name of 1-[(2R,3R,5R,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-2-methyl-3-trimethylsilyloxyoxan-3-yl]ethanone (CID 10949186) is 1-[(2R,3R,5R,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-2-methyl-3-trimethylsilyloxyoxan-3-yl]ethanone.
What is the SMILES notation for 1-[(2R,3R,5R,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-2-methyl-3-trimethylsilyloxyoxan-3-yl]ethanone?
The canonical SMILES for 1-[(2R,3R,5R,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-2-methyl-3-trimethylsilyloxyoxan-3-yl]ethanone is CO[C@H]1O[C@H](C)[C@@](O[Si](C)(C)C)(C(C)=O)C[C@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 1-[(2R,3R,5R,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-2-methyl-3-trimethylsilyloxyoxan-3-yl]ethanone?
The InChIKey is WHZOHQQLDDIJMF-CBZIJGRNSA-N. The full InChI is InChI=1S/C18H38O5Si2/c1-13(19)18(23-24(7,8)9)12-15(16(20-6)21-14(18)2)22-25(10,11)17(3,4)5/h14-16H,12H2,1-11H3/t14-,15-,16+,18+/m1/s1.
What are the key properties of 1-[(2R,3R,5R,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-2-methyl-3-trimethylsilyloxyoxan-3-yl]ethanone?
1-[(2R,3R,5R,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-2-methyl-3-trimethylsilyloxyoxan-3-yl]ethanone has a molecular weight of 390.67 g/mol, XLogP of 4.34, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,3R,5R,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-2-methyl-3-trimethylsilyloxyoxan-3-yl]ethanone is sourced from PubChem (CID 10949186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).