chempirical

p-Nitrophenyl α-D-mannopyranoside

C12H15NO8CAS 10357-27-4301.25 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
174 °C
logP
-1.23Crippen estimate
Polar surface area
142.5 Ų
H-bond donors / acceptors
4 / 8
Rotatable bonds
4
Stereocentres
R, R, S, S, Sin 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
10357-27-4
SMILES
O=[N+]([O-])c1ccc(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)cc1
InChIKey
IFBHRQDFSNCLOZ-GCHJQGSQSA-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

Weigh it out

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

Names and synonyms

6 names
  • α-D-Mannopyranoside, 4-nitrophenyl
  • Mannopyranoside, p-nitrophenyl, α-D-
  • Mannopyranoside, p-nitrophenyl
  • 4-Nitrophenyl α-D-mannopyranoside
  • p-Nitrophenyl α-mannoside
  • 4′-Nitrophenyl α-D-mannopyranoside

Work with p-Nitrophenyl α-D-mannopyranoside

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

p-Nitrophenyl beta-D-glucopyranoside2492-87-7Diastereomer p-Nitrophenyl α-D-galactopyranoside7493-95-0Diastereomer p-Nitrophenyl β-D-galactopyranoside3150-24-1Diastereomer p-Nitrophenyl α-D-glucopyranoside3767-28-0Diastereomer p-Nitrophenyl β-D-mannopyranoside35599-02-1Diastereomer

Similar compounds

4-Nitrophenyl beta-cellobioside3482-57-387 % similar 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 p-Nitrophenyl α-L-fucoside10231-84-266 % similar 4-Nitrophenyl beta-D-Fucopyranoside1226-39-766 % similar

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

Same formula

2-Nitrophenyl β-D-glucopyranoside2816-24-2 ortho-Nitrophenyl-β-galactoside369-07-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook