4-Nitrophenyl beta-D-Fucopyranoside

C12H15NO7CAS 1226-39-7285.25 g/mol

Open in Covalent MOL file
OON+OO−OHOHOH
AcetalAlcoholEtherNitro

Properties

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

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
1226-39-7
SMILES
C[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)OC2=CC=C(C=C2)[N+](=O)[O-])O)O)O
InChIKey
YILIDCGSXCGACV-BVWHHUJWSA-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+/m1/s1

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Names and synonyms

1 names
  • 4-Nitrophenyl-beta-D-fucopyranoside

Work with 4-Nitrophenyl beta-D-Fucopyranoside

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.

4-Nitrophenyl 6-deoxy-β-L-galactopyranoside22153-71-5Enantiomer p-Nitrophenyl α-L-fucoside10231-84-2Diastereomer

Similar compounds

2-Chloro-4-nitrophenyl alpha-L-fucopyranoside157843-41-966 % similar p-Nitrophenyl α-D-mannopyranoside10357-27-466 % similar p-Nitrophenyl beta-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

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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