2-Chloro-4-nitrophenylmaltotrioside

C24H34ClNO18CAS 118291-90-0659.98 g/mol

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

Properties

Molecular formula
C24H34ClNO18
Molar mass
659.98 g/mol
Exact mass
659.1464 Da
logP
-5.48Crippen estimate
Polar surface area
311.8 Ų
H-bond donors / acceptors
11 / 18
Rotatable bonds
9
Stereocentres
R, R, S, S, R, R, R, S, S, R, R, R, S, S, Rin 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
118291-90-0
SMILES
C1=CC(=C(C=C1[N+](=O)[O-])Cl)[C@]2([C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O
InChIKey
AQTOSAZILYIEIC-LTCRKWBUSA-N
InChI
InChI=1S/C24H34ClNO18/c25-9-3-7(26(38)39)1-2-8(9)24(44-23-20(37)17(34)14(31)11(5-28)41-23)21(18(35)15(32)12(6-29)43-24)42-22-19(36)16(33)13(30)10(4-27)40-22/h1-3,10-23,27-37H,4-6H2/t10-,11-,12-,13-,14-,15-,16+,17+,18+,19-,20-,21-,22-,23-,24-/m1/s1

Weigh it out

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

Work with 2-Chloro-4-nitrophenylmaltotrioside

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-glucopyranoside120221-14-963 % similar p-Nitrophenyl α-D-mannopyranoside10357-27-452 % similar p-Nitrophenyl beta-D-glucopyranoside2492-87-752 % similar p-Nitrophenyl β-D-galactopyranoside3150-24-152 % similar p-Nitrophenyl β-D-mannopyranoside35599-02-152 % similar p-Nitrophenyl α-D-glucopyranoside3767-28-052 % similar p-Nitrophenyl α-D-galactopyranoside7493-95-052 % similar 4-Nitrophenyl beta-cellobioside3482-57-349 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Gal-G2-CNP157381-11-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook