4-Nitrophenyl beta-D-Fucopyranoside

C₁₂H₁₅NO₇CAS 1226-39-7285.25 g/mol

Open in Covalent MOL file

Acetal Alcohol Ether Nitro

Properties

Molecular formula: C₁₂H₁₅NO₇
Molar mass: 285.25 g/mol
Exact mass: 285.0849 Da
logP: -0.20Crippen estimate
Polar surface area: 122.3 Å²
H-bond donors / acceptors: 3 / 7
Rotatable bonds: 3
Stereocentres: R, R, S, R, Sin SMILES atom order

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

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

P-Nitrophenyl α-L-fucoside10231-84-2 4-Nitrophenyl 6-deoxy-β-L-galactopyranoside22153-71-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook