chempirical

2′-Fluoro-2′-deoxy-1,3,5-tri-O-benzoyl-α-D-arabinofuranose

C26H21FO7CAS 97614-43-2464.45 g/mol

Open in Covalent MOL file
OOOOOFOO
AcetalAlkyl halideEsterEther

Properties

Molecular formula
C26H21FO7
Molar mass
464.45 g/mol
Exact mass
464.1271 Da
Melting point
82 °C
logP
3.99Crippen estimate
Polar surface area
88.1 Ų
H-bond donors / acceptors
0 / 7
Rotatable bonds
7
Stereocentres
R, R, S, Rin SMILES atom order

Identifiers

CAS number
97614-43-2
SMILES
O=C(OC[C@H]1O[C@H](OC(=O)c2ccccc2)[C@@H](F)[C@@H]1OC(=O)c1ccccc1)c1ccccc1
InChIKey
JOAHVPNLVYCSAN-UXGLMHHASA-N
InChI
InChI=1S/C26H21FO7/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/h1-15,20-22,26H,16H2/t20-,21+,22-,26-/m1/s1

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

Names and synonyms

3 names
  • α-D-Arabinofuranose, 2-deoxy-2-fluoro-, 1,3,5-tribenzoate
  • α-D-Arabinofuranose, 2-deoxy-2-fluoro-, tribenzoate
  • 2-Deoxy-2-fluoro-α-D-arabinofuranose 1,3,5-tribenzoate

Work with 2′-Fluoro-2′-deoxy-1,3,5-tri-O-benzoyl-α-D-arabinofuranose

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-ribofuranose22224-41-570 % 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 Glyceryl tribenzoate614-33-553 % similar (6-Methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)methyl benzoate10300-20-651 % similar 2-Deoxy-2,2-difluoro-D-erythro-pentonic acid γ-lactone 3,5-dibenzoate122111-01-750 % similar Penta-O-galloyl-β-D-glucose14937-32-748 % similar (2R)-2-Deoxy-2-fluoro-2-methyl-D-erythro-pentonic acid γ-lactone 3,5-dibenzoate874638-80-947 % similar

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

Elsewhere

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