2-Chloro-4-nitrophenyl alpha-L-fucopyranoside

C₁₂H₁₄ClNO₇CAS 157843-41-9319.69 g/mol

Open in Covalent MOL file

Acetal Alcohol Aryl halide Ether Nitro

Properties

Molecular formula: C₁₂H₁₄ClNO₇
Molar mass: 319.69 g/mol
Exact mass: 319.0459 Da
logP: 0.45Crippen estimate
Polar surface area: 122.3 Å²
H-bond donors / acceptors: 3 / 7
Rotatable bonds: 3
Stereocentres: S, S, R, S, Sin SMILES atom order

Identifiers

CAS number

157843-41-9

SMILES

C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OC2=C(C=C(C=C2)[N+](=O)[O-])Cl)O)O)O

InChIKey

QURSGHQPKUXLAD-MOBXTKCLSA-N

InChI

InChI=1S/C12H14ClNO7/c1-5-9(15)10(16)11(17)12(20-5)21-8-3-2-6(14(18)19)4-7(8)13/h2-5,9-12,15-17H,1H3/t5-,9+,10+,11-,12-/m0/s1

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Names and synonyms

1 names

2-Chloro-4-nitrophenyl-alpha-L-fucopyranoside

Work with 2-Chloro-4-nitrophenyl alpha-L-fucopyranoside

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-Chloro-4-nitrophenyl β-D-glucopyranoside120221-14-970 % similar P-Nitrophenyl α-L-fucoside10231-84-266 % similar 4-Nitrophenyl beta-D-Fucopyranoside1226-39-766 % similar 4-Nitrophenyl 6-deoxy-β-L-galactopyranoside22153-71-566 % similar Gal-G2-CNP157381-11-863 % similar 2-Chloro-1-methoxy-4-nitrobenzene4920-79-052 % similar 2,4′-Dichloro-4-nitrodiphenyl ether22544-07-648 % similar Dicapthon2463-84-545 % similar

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

Elsewhere

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