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

C12H14ClNO7CAS 157843-41-9319.69 g/mol

Open in Covalent MOL file
OON+OO−ClOHOHOH
AcetalAlcoholAryl halideEtherNitro

Properties

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

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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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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