chempirical

1,3,5-Tri-O-benzoyl-α-D-ribofuranose

C26H22O8CAS 22224-41-5462.45 g/mol

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AcetalAlcoholEsterEther

Properties

Molecular formula
C26H22O8
Molar mass
462.45 g/mol
Exact mass
462.1315 Da
Melting point
139–142 °C
logP
3.01Crippen estimate
Polar surface area
108.4 Ų
H-bond donors / acceptors
1 / 8
Rotatable bonds
7
Stereocentres
R, R, R, Sin SMILES atom order

Identifiers

CAS number
22224-41-5
SMILES
O=C(OC[C@H]1O[C@H](OC(=O)c2ccccc2)[C@H](O)[C@@H]1OC(=O)c1ccccc1)c1ccccc1
InChIKey
HUHVPBKTTFVAQF-PIXQIBFHSA-N
InChI
InChI=1S/C26H22O8/c27-21-22(33-24(29)18-12-6-2-7-13-18)20(16-31-23(28)17-10-4-1-5-11-17)32-26(21)34-25(30)19-14-8-3-9-15-19/h1-15,20-22,26-27H,16H2/t20-,21-,22-,26-/m1/s1

Weigh it out

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

Names and synonyms

3 names
  • α-D-Ribofuranose, 1,3,5-tribenzoate
  • Ribofuranose, 1,3,5-tribenzoate
  • α-D-1,3,5-Tri-O-benzoyl-ribofuranose

Work with 1,3,5-Tri-O-benzoyl-α-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

2′-Fluoro-2′-deoxy-1,3,5-tri-O-benzoyl-α-D-arabinofuranose97614-43-270 % similar 1-O-Acetyl-2,3,5-tri-O-benzoyl-β-L-ribofuranose3080-30-663 % similar 1-O-Acetyl-2,3,5-tri-O-benzoyl-beta-D-ribofuranose6974-32-963 % similar 1,3,6-Trigalloyl glucose18483-17-561 % similar Glyceryl tribenzoate614-33-553 % similar Penta-O-galloyl-β-D-glucose14937-32-751 % similar (6-Methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)methyl benzoate10300-20-651 % similar Corilagin23094-69-151 % similar

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

Elsewhere

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