chempirical

(3R,4S,5R,6R)-3,4,5-Tris(benzyloxy)-6-(((tert-butyldimethylsilyl)oxy)methyl)tetrahydro-2H-pyran-2-one

C33H42O6SiCAS 911380-37-5562.78 g/mol

Open in Covalent MOL file
SiOOOOOO
EsterEtherLactoneSilyl ether

Properties

Molecular formula
C33H42O6Si
Molar mass
562.78 g/mol
Exact mass
562.2751 Da
logP
6.69Crippen estimate
Polar surface area
63.2 Ų
H-bond donors / acceptors
0 / 6
Rotatable bonds
12
Stereocentres
R, R, S, Rin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
911380-37-5
SMILES
CC(C)(C)[Si](C)(C)OC[C@@H]1[C@H]([C@@H]([C@H](C(=O)O1)OCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4
InChIKey
QOBGJUJDMVPGLT-LTXXGDHTSA-N
InChI
InChI=1S/C33H42O6Si/c1-33(2,3)40(4,5)38-24-28-29(35-21-25-15-9-6-10-16-25)30(36-22-26-17-11-7-12-18-26)31(32(34)39-28)37-23-27-19-13-8-14-20-27/h6-20,28-31H,21-24H2,1-5H3/t28-,29-,30+,31-/m1/s1

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Names and synonyms

1 names
  • D-Gluconic acid, 6-O-[(1,1-dimethylethyl)dimethylsilyl]-2,3,4-tris-O-(phenylmethyl)-, D-lactone

Work with (3R,4S,5R,6R)-3,4,5-Tris(benzyloxy)-6-(((tert-butyldimethylsilyl)oxy)methyl)tetrahydro-2H-pyran-2-one

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2,3,4,6-Tetra-O-benzyl-D-glucono-1,5-lactone13096-62-365 % similar 2,3,5-Tri-O-benzyl-D-ribonolactone55094-52-560 % similar 1-O-Acetyl-2,3,5-tri-O-benzyl-D-ribofuranose58381-23-040 % similar 1,2,4,6-Tetra-O-acetyl-3-O-benzyl-beta-D-glucopyranose39686-94-736 % similar 2,3,4,6-Tetrakis-O-trimethylsilyl-D-gluconolactone32384-65-936 % similar (3R,4S,5S)-4-(Benzyloxy)-5-((benzyloxy)methyl)-5-(((tert-butyldiphenylsilyl)oxy)methyl)tetrahydrofuran-2,3-diyl diacetate1300589-59-636 % similar tert-Butyldimethyl[((S)-oxiranyl)methoxy]silane123237-62-735 % similar Benzyl isobutyrate103-28-635 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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