chempirical

P-Nitrophenyl α-L-fucoside

C12H15NO7CAS 10231-84-2285.25 g/mol

Open in Covalent MOL file
OON+OO−OHOHHO
AcetalAlcoholEtherNitro

Properties

Molecular formula
C12H15NO7
Molar mass
285.25 g/mol
Exact mass
285.0849 Da
Melting point
196–197 °C
logP
-0.20Crippen estimate
Polar surface area
122.3 Ų
H-bond donors / acceptors
3 / 7
Rotatable bonds
3
Stereocentres
S, S, S, R, Sin SMILES atom order

Hazards

Not classified as hazardous under GHS by 2 ECHA notifiers. Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Identifiers

CAS number
10231-84-2
SMILES
C[C@@H]1O[C@@H](Oc2ccc([N+](=O)[O-])cc2)[C@@H](O)[C@H](O)[C@@H]1O
InChIKey
YILIDCGSXCGACV-SQKFTNEHSA-N
InChI
InChI=1S/C12H15NO7/c1-6-9(14)10(15)11(16)12(19-6)20-8-4-2-7(3-5-8)13(17)18/h2-6,9-12,14-16H,1H3/t6-,9+,10+,11-,12-/m0/s1

Weigh it out

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

Names and synonyms

6 names
  • α-L-Galactopyranoside, 4-nitrophenyl 6-deoxy-
  • Galactopyranoside, p-nitrophenyl 6-deoxy-, α-L-
  • 4-Nitrophenyl 6-deoxy-α-L-galactopyranoside
  • p-Nitrophenyl α-fucopyranoside
  • p-Nitrophenyl α-L-fucopyranoside
  • p-Nitrophenyl 6-deoxy-α-L-galactopyranoside

Work with P-Nitrophenyl α-L-fucoside

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 α-D-mannopyranoside10357-27-466 % similar P-Nitrophenyl β-D-glucopyranoside2492-87-766 % similar P-Nitrophenyl β-D-galactopyranoside3150-24-166 % similar P-Nitrophenyl β-D-mannopyranoside35599-02-166 % similar P-Nitrophenyl α-D-glucopyranoside3767-28-066 % similar P-Nitrophenyl α-D-galactopyranoside7493-95-066 % similar P-Nitrophenyl β-D-glucuronide10344-94-265 % similar P-Nitrophenyl β-D-lactoside4419-94-758 % similar

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

Same formula

4-Nitrophenyl beta-D-Fucopyranoside1226-39-7 4-Nitrophenyl 6-deoxy-β-L-galactopyranoside22153-71-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook