(3R,4S,5S)-4-(Benzyloxy)-5-((benzyloxy)methyl)-5-(((tert-butyldiphenylsilyl)oxy)methyl)tetrahydrofuran-2,3-diyl diacetate

C40H46O8SiCAS 1300589-59-6682.88 g/mol

Open in Covalent MOL file
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AcetalEsterEtherSilyl ether

Properties

Molecular formula
C40H46O8Si
Molar mass
682.88 g/mol
Exact mass
682.2962 Da
logP
5.96Crippen estimate
Polar surface area
89.5 Ų
H-bond donors / acceptors
0 / 8
Rotatable bonds
14
Stereocentres
R, S, Sin SMILES atom order

Hazards

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

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Identifiers

CAS number
1300589-59-6
SMILES
CC(=O)O[C@@H]1[C@@H]([C@](OC1OC(=O)C)(COCC2=CC=CC=C2)CO[Si](C3=CC=CC=C3)(C4=CC=CC=C4)C(C)(C)C)OCC5=CC=CC=C5
InChIKey
HUTHAPONKRBECK-GXTDHJJKSA-N
InChI
InChI=1S/C40H46O8Si/c1-30(41)46-36-37(44-27-33-20-12-7-13-21-33)40(48-38(36)47-31(2)42,28-43-26-32-18-10-6-11-19-32)29-45-49(39(3,4)5,34-22-14-8-15-23-34)35-24-16-9-17-25-35/h6-25,36-38H,26-29H2,1-5H3/t36-,37+,38?,40+/m1/s1

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Work with (3R,4S,5S)-4-(Benzyloxy)-5-((benzyloxy)methyl)-5-(((tert-butyldiphenylsilyl)oxy)methyl)tetrahydrofuran-2,3-diyl diacetate

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

1-O-Acetyl-2,3,5-tri-O-benzyl-D-ribofuranose58381-23-045 % similar 1,2-O-(1-Methylethylidene)-4-c-[(phenylmethoxy)methyl]-3-o-(phenylmethyl)--l-lyxofuranose153186-10-843 % similar 1,2,4,6-Tetra-O-acetyl-3-O-benzyl-beta-D-glucopyranose39686-94-741 % similar 4-C-(Hydroxymethyl)-1,2-O-(1-methylethylidene)-3-O-(phenylmethyl)-α-D-erythro-pentofuranose63593-03-338 % similar (3R,4S,5R,6R)-3,4,5-Tris(benzyloxy)-6-(((tert-butyldimethylsilyl)oxy)methyl)tetrahydro-2H-pyran-2-one911380-37-536 % similar Benzyl acetate140-11-433 % similar 1-Phenyl-2-propanol acetate2114-33-233 % similar N-((2R,3R,4S,5R)-6-((tert-Butyldiphenylsilyl)oxy)-1,3,4,5-tetrahydroxyhexan-2-yl)acetamide676227-13-732 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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