1-O-Acetyl-2,3,5-tri-O-benzoyl-β-L-ribofuranose

C₂₈H₂₄O₉CAS 3080-30-6504.49 g/mol

Open in Covalent MOL file

Acetal Ester Ether

Properties

Molecular formula: C₂₈H₂₄O₉
Molar mass: 504.49 g/mol
Exact mass: 504.1420 Da
Melting point: 124–125 °C
logP: 3.58Crippen estimate
Polar surface area: 114.4 Å²
H-bond donors / acceptors: 0 / 9
Rotatable bonds: 8
Stereocentres: R, S, S, Sin SMILES atom order

Identifiers

CAS number

3080-30-6

SMILES

CC(=O)O[C@H]1O[C@@H](COC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1

InChIKey

GCZABPLTDYVJMP-TVQWTUMOSA-N

InChI

InChI=1S/C28H24O9/c1-18(29)34-28-24(37-27(32)21-15-9-4-10-16-21)23(36-26(31)20-13-7-3-8-14-20)22(35-28)17-33-25(30)19-11-5-2-6-12-19/h2-16,22-24,28H,17H2,1H3/t22-,23-,24-,28-/m0/s1

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Names and synonyms

4 names

Ribofuranose, 1-acetate 2,3,5-tribenzoate
β-L-Ribofuranose, 1-acetate 2,3,5-tribenzoate
Ribofuranose, 1-acetate 2,3,5-tribenzoate, β-L-
NSC 87674

Work with 1-O-Acetyl-2,3,5-tri-O-benzoyl-β-L-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

1,3,5-Tri-O-benzoyl-α-D-ribofuranose22224-41-563 % similar 2′-Fluoro-2′-deoxy-1,3,5-tri-O-benzoyl-α-D-arabinofuranose97614-43-263 % similar 1,2,3,5-Tetra-O-acetyl-β-D-ribofuranose13035-61-559 % similar 1,2,3,5-Tetra-O-acetyl--L-ribofuranose144490-03-959 % similar Penta-O-acetyl-α-D-galactopyranose4163-59-158 % similar β-D-Galactose pentaacetate4163-60-458 % similar α-D-Mannose pentaacetate4163-65-958 % similar Penta-O-acetyl-α-D-glucopyranose604-68-258 % similar

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

Same formula

1-O-Acetyl-2,3,5-tri-O-benzoyl-beta-D-ribofuranose6974-32-9

Elsewhere

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