chempirical

2,3,5-Tri-O-benzyl-1-O-p-nitrobenzoyl-D-arabinofuranose

C33H31NO8CAS 52522-49-3569.61 g/mol

Open in Covalent MOL file
OOOOOON+OO−
AcetalEsterEtherNitro

Properties

Molecular formula
C33H31NO8
Molar mass
569.61 g/mol
Exact mass
569.2050 Da
logP
5.86Crippen estimate
Polar surface area
106.4 Ų
H-bond donors / acceptors
0 / 8
Rotatable bonds
13
Stereocentres
R, R, Sin SMILES atom order

Identifiers

CAS number
52522-49-3
SMILES
O=C(OC1O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1)c1ccc([N+](=O)[O-])cc1
InChIKey
VBDBDZHLJKDSSB-UFRUDBOASA-N
InChI
InChI=1S/C33H31NO8/c35-32(27-16-18-28(19-17-27)34(36)37)42-33-31(40-22-26-14-8-3-9-15-26)30(39-21-25-12-6-2-7-13-25)29(41-33)23-38-20-24-10-4-1-5-11-24/h1-19,29-31,33H,20-23H2/t29-,30-,31+,33?/m1/s1

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Names and synonyms

4 names
  • D-Arabinofuranose, 2,3,5-tris-O-(phenylmethyl)-, 1-(4-nitrobenzoate)
  • D-Arabinofuranose, 2,3,5-tris-O-(phenylmethyl)-, 4-nitrobenzoate
  • 2,3,5-Tri-O-benzyl-1-O-(p-nitrobenzoyl)-D-arabinose
  • NSC 98642

Work with 2,3,5-Tri-O-benzyl-1-O-p-nitrobenzoyl-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

Methyl 2,3,4,6-tetra-O-benzyl-α-D-galactopyranoside53008-63-249 % similar 2,3,4,6-Tetra-O-benzyl-D-glucono-1,5-lactone13096-62-348 % similar Benzyl 4-nitrophenyl carbonate13795-24-944 % similar 2,3,4,6-Tetrakis-O-(phenylmethyl)-D-glucopyranose4132-28-943 % similar 2,3,4,6-Tetrakis-O-(phenylmethyl)-D-galactopyranose6386-24-943 % similar 2,3,4,6-Tetrakis-O-(phenylmethyl)-α-D-glucopyranose6564-72-343 % similar 1,3,5-Tri-O-benzoyl-α-D-ribofuranose22224-41-540 % similar 2′-Fluoro-2′-deoxy-1,3,5-tri-O-benzoyl-α-D-arabinofuranose97614-43-240 % similar

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

Elsewhere

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