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a-D-Mannopyranoside, 4-nitrophenyl

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Name

a-D-Mannopyranoside, 4-nitrophenyl

EINECS 233-776-6
CAS No. 10357-27-4 Density 1.599 g/cm3
PSA 145.20000 LogP -0.70330
Solubility DMF: 50 mg/mL, clear, very faintly yellow Melting Point 179-181 °C
Formula C12H15NO8 Boiling Point 582.2 °C at 760 mmHg
Molecular Weight 301.253 Flash Point 305.9 °C
Transport Information N/A Appearance White-yellow crystal powder
Safety 24/25-36-26 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 10357-27-4 (4-NITROPHENYL-ALPHA-D-MANNOPYRANOSIDE) Hazard Symbols IrritantXi
Synonyms

Mannopyranoside,p-nitrophenyl (7CI);Mannopyranoside, p-nitrophenyl, a-D- (8CI);4-Nitrophenyl a-D-mannopyranoside;4'-Nitrophenyla-D-mannopyranoside;p-Nitrophenyla-D-mannopyranoside;p-Nitrophenyla-mannoside;

Article Data 14

a-D-Mannopyranoside, 4-nitrophenyl Specification

The a-D-Mannopyranoside, 4-nitrophenyl, with the CAS registry number 10357-27-4, is also known as 4-nitrophenyl α-D-mannopyranoside. It belongs to the product categories of Substrates; 13C & 2H Sugars; Biochemistry; Glycosides; Sugars; Carbohydrates & Derivatives; ChromogenicEnzyme Substrates; Mannosidase, alpha-; Mannoside; Substrates by Enzyme. Its EINECS registry number is 233-776-6. This chemical's molecular formula is C12H15NO8 and molecular weight is 301.2494. What's more, its IUPAC name is (2R,3S,4S,5S,6R)-2-(Hydroxymethyl)-6-(4-nitrophenoxy)oxane-3,4,5-triol. Besides, it is crystalline.

Physical properties about a-D-Mannopyranoside, 4-nitrophenyl are: (1)ACD/LogP: -0.55; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 9; (4)#H bond donors: 4; (5)#Freely Rotating Bonds: 8; (6)Polar Surface Area: 101.2 Å2; (7)Index of Refraction: 1.647; (8)Molar Refractivity: 68.5 cm3; (9)Molar Volume: 188.3 cm3; (10)Polarizability: 27.15×10-24cm3; (11)Surface Tension: 74.1 dyne/cm; (12)Density: 1.599 g/cm3; (13)Flash Point: 305.9 °C; (14)Enthalpy of Vaporization: 91.56 kJ/mol; (15)Boiling Point: 582.2 °C at 760 mmHg; (16)Vapour Pressure: 2.14E-14 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following: As a chemical, it is irritating to eyes, respiratory system. Besides, this chemical causes inflammation to the skin or other mucous membranes. During using it, wear suitable protective clothing, gloves and eye/face protection and avoid contact with skin and eyes. In case of contact with eyes or skin, rinse immediately with plenty of water and seek medical advice. In addition, it should place in a cool and dry place.

You can still convert the following datas into molecular structure:
(1) SMILES: [O-][N+](=O)c2ccc(O[C@H]1O[C@@H]([C@@H](O)[C@H](O)[C@@H]1O)CO)cc2
(2) InChI: InChI=1/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
(3) InChIKey: IFBHRQDFSNCLOZ-GCHJQGSQBP

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