Gal-G2-CNP

C24H34ClNO18CAS 157381-11-8659.98 g/mol

Open in Covalent MOL file
N+OO−ClOOHOOOHOOOHOHOOHOHOHOHOHHO
AcetalAlcoholAryl halideEtherNitro

Properties

Molecular formula
C24H34ClNO18
Molar mass
659.98 g/mol
Exact mass
659.1464 Da
logP
-4.92Crippen estimate
Polar surface area
300.8 Ų
H-bond donors / acceptors
10 / 18
Rotatable bonds
10
Stereocentres
R, R, R, S, R, R, R, R, S, R, S, R, S, R, Rin 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
157381-11-8
SMILES
C1=CC(=C(C=C1[N+](=O)[O-])Cl)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O)O)O)O)O
InChIKey
KMYYNUOXSFGLNX-STTJGHISSA-N
InChI
InChI=1S/C24H34ClNO18/c25-8-3-7(26(37)38)1-2-9(8)39-22-18(35)15(32)20(11(5-28)41-22)44-24-19(36)16(33)21(12(6-29)42-24)43-23-17(34)14(31)13(30)10(4-27)40-23/h1-3,10-24,27-36H,4-6H2/t10-,11-,12-,13+,14+,15-,16-,17-,18-,19-,20-,21-,22+,23+,24-/m1/s1

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Names and synonyms

1 names
  • 2-Chloro-4-nitrophenyl 4-O-B-D-galactopyranosylmaltoside

Work with Gal-G2-CNP

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-glucopyranoside120221-14-989 % similar 4-Nitrophenyl beta-cellobioside3482-57-371 % similar p-Nitrophenyl β-D-lactoside4419-94-771 % similar 2-Chloro-4-nitrophenyl alpha-L-fucopyranoside157843-41-963 % similar p-Nitrophenyl α-D-mannopyranoside10357-27-460 % similar p-Nitrophenyl beta-D-glucopyranoside2492-87-760 % similar p-Nitrophenyl β-D-galactopyranoside3150-24-160 % similar p-Nitrophenyl β-D-mannopyranoside35599-02-160 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Chloro-4-nitrophenylmaltotrioside118291-90-0

Elsewhere

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