p-Nitrophenyl β-D-mannopyranoside
Properties
- Molecular formula
- C12H15NO8
- Molar mass
- 301.25 g/mol
- Exact mass
- 301.0798 Da
- logP
- -1.23Crippen estimate
- Polar surface area
- 142.5 Ų
- H-bond donors / acceptors
- 4 / 8
- Rotatable bonds
- 4
- Stereocentres
- S, R, S, S, Sin SMILES atom order
Hazards
Warning
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation100% of notifiers
Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
35599-02-1SMILES
O=[N+]([O-])c1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)cc1InChIKey
IFBHRQDFSNCLOZ-LDMBFOFVSA-NInChI
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/s1Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
2 names
- β-D-Mannopyranoside, 4-nitrophenyl
- 4-Nitrophenyl β-D-mannopyranoside
Work with p-Nitrophenyl β-D-mannopyranoside
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.
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