chempirical

2-Chloro-4-nitrophenylmaltotrioside

C24H34ClNO18CAS 118291-90-0659.98 g/mol

Open in Covalent MOL file
N+OO−ClOHOOHOHOOOHOHOHHOOOOHHOOHOH
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

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 β-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 P-Nitrophenyl β-D-lactoside4419-94-749 % 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