chempirical

P-Nitrophenyl α-D-galactopyranoside

C12H15NO8CAS 7493-95-0301.25 g/mol

Open in Covalent MOL file
ON+O−OOOHOHHOHO
AcetalAlcoholEtherNitro

Properties

Molecular formula
C12H15NO8
Molar mass
301.25 g/mol
Exact mass
301.0798 Da
Melting point
136–140 °C
logP
-1.23Crippen estimate
Polar surface area
142.5 Ų
H-bond donors / acceptors
4 / 8
Rotatable bonds
4
Stereocentres
R, R, R, S, Rin SMILES atom order

Identifiers

CAS number
7493-95-0
SMILES
O=[N+]([O-])c1ccc(O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1
InChIKey
IFBHRQDFSNCLOZ-IIRVCBMXSA-N
InChI
InChI=1S/C12H15NO8/c14-5-8-9(15)10(16)11(17)12(21-8)20-7-3-1-6(2-4-7)13(18)19/h1-4,8-12,14-17H,5H2/t8-,9+,10+,11-,12+/m1/s1

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Names and synonyms

9 names
  • α-D-Galactopyranoside, 4-nitrophenyl
  • Galactopyranoside, p-nitrophenyl, α-D-
  • 4-Nitrophenyl α-D-galactopyranoside
  • p-Nitrophenyl α-D-galactoside
  • p-Nitrophenyl α-galactoside
  • p-Nitrophenyl α-galactopyranoside
  • 4-Nitrophenyl α-D-galactoside
  • NSC 89286
  • PNPG

Work with P-Nitrophenyl α-D-galactopyranoside

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

P-Nitrophenyl β-D-lactoside4419-94-787 % similar 2-Chloro-4-nitrophenyl β-D-glucopyranoside120221-14-967 % similar P-Nitrophenyl 2-acetamido-2-deoxy-α-D-glucopyranoside10139-02-367 % similar P-Nitrophenyl-N-acetyl-β-D-galactosaminide14948-96-067 % similar P-Nitrophenyl N-acetyl-β-D-glucosaminide3459-18-567 % similar 4-Nitrophenyl beta-D-Fucopyranoside1226-39-766 % similar 4-Nitrophenyl 6-deoxy-β-L-galactopyranoside22153-71-566 % similar Arbutin497-76-764 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

P-Nitrophenyl α-D-mannopyranoside10357-27-4 P-Nitrophenyl β-D-glucopyranoside2492-87-7 2-Nitrophenyl β-D-glucopyranoside2816-24-2 P-Nitrophenyl β-D-galactopyranoside3150-24-1 P-Nitrophenyl β-D-mannopyranoside35599-02-1 Ortho-nitrophenyl-β-galactoside369-07-3 P-Nitrophenyl α-D-glucopyranoside3767-28-0

Elsewhere

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