Gal-G2-CNP

C₂₄H₃₄ClNO₁₈CAS 157381-11-8659.98 g/mol

Open in Covalent MOL file

Acetal Alcohol Aryl halide Ether Nitro

Properties

Molecular formula: C₂₄H₃₄ClNO₁₈
Molar mass: 659.98 g/mol
Exact mass: 659.1464 Da
logP: -4.92Crippen estimate
Polar surface area: 300.8 Å²
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

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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Type any one amount. The others follow from the molar mass.

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 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 β-D-glucopyranoside2492-87-760 % similar P-Nitrophenyl β-D-galactopyranoside3150-24-160 % similar P-Nitrophenyl β-D-mannopyranoside35599-02-160 % similar P-Nitrophenyl α-D-glucopyranoside3767-28-060 % 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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