chempirical

2,3,5-Tri-O-benzyl-1-O-(4-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

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
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

5 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
  • 2,3,5-Tri-O-benzyl-1-O-p-nitrobenzoyl-D-arabinofuranose
  • NSC 98642

Work with 2,3,5-Tri-O-benzyl-1-O-(4-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

1-O-Acetyl-2,3,5-tri-O-benzyl-D-ribofuranose58381-23-058 % similar 2 3 4 6-Tetra-O-benzyl-alpha-D-glucopyr&74808-09-650 % similar 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 2,3,5-Tri-O-benzyl-D-ribonolactone55094-52-547 % similar Alpha-D-glucopyranose pentabenzoate22415-91-444 % similar Penta-O-benzoyl-alpha-D-mannopyranose41569-33-944 % similar 1,2,3,4,6-Penta-O-benzoyl-D-mannopyranose96996-90-644 % similar

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

Elsewhere

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