chempirical

1-O-Acetyl-2,3,5-tri-O-benzyl-D-ribofuranose

C28H30O6CAS 58381-23-0462.54 g/mol

Open in Covalent MOL file
OOOOOO
AcetalEsterEther

Properties

Molecular formula
C28H30O6
Molar mass
462.54 g/mol
Exact mass
462.2042 Da
logP
4.66Crippen estimate
Polar surface area
63.2 Ų
H-bond donors / acceptors
0 / 6
Rotatable bonds
11
Stereocentres
R, R, 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
58381-23-0
SMILES
CC(=O)OC1[C@@H]([C@@H]([C@H](O1)COCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4
InChIKey
CPWPSDGLXXKBKZ-STQJPMTFSA-N
InChI
InChI=1S/C28H30O6/c1-21(29)33-28-27(32-19-24-15-9-4-10-16-24)26(31-18-23-13-7-3-8-14-23)25(34-28)20-30-17-22-11-5-2-6-12-22/h2-16,25-28H,17-20H2,1H3/t25-,26-,27-,28?/m1/s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Work with 1-O-Acetyl-2,3,5-tri-O-benzyl-D-ribofuranose

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

1,2,4,6-Tetra-O-acetyl-3-O-benzyl-beta-D-glucopyranose39686-94-771 % similar Methyl 2,3,4,6-tetra-O-benzyl-α-D-galactopyranoside53008-63-264 % similar 2 3 4 6-Tetra-O-benzyl-alpha-D-glucopyr&74808-09-660 % similar 2,3,5-Tri-O-benzyl-1-O-p-nitrobenzoyl-D-arabinofuranose52522-49-358 % similar 2,3,4,6-Tetra-O-benzyl-D-glucono-1,5-lactone13096-62-356 % similar 2,3,5-Tri-O-benzyl-beta-D-arabinofuranose60933-68-854 % similar 2,3,5-Tri-O-benzyl-D-ribonolactone55094-52-554 % similar 2,3,4,6-Tetrakis-O-(phenylmethyl)-D-glucopyranose4132-28-953 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook