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22153-71-5

Basic Information
CAS No.: 22153-71-5
Name: 4-NITROPHENYL-BETA-L-FUCOPYRANOSIDE
Article Data: 7
Molecular Structure:
Molecular Structure of 22153-71-5 (4-NITROPHENYL-BETA-L-FUCOPYRANOSIDE)
Formula: C12H15NO7
Molecular Weight: 285.254
Synonyms: Galactopyranoside,p-nitrophenyl 6-deoxy-, β-L- (8CI);p-Nitrophenyl β-L-fucopyranoside;p-Nitrophenyl β-L-fucoside;p-Nitrophenyl-β-fucopyranoside;
EINECS: 244-808-3
Density: 1.503 g/cm3
Boiling Point: 515.4 °C at 760 mmHg
Flash Point: 265.5 °C
Appearance: white to off-white crystalline powder
PSA: 124.97000
LogP: 0.32430
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Specification

The β-L-Galactopyranoside,4-nitrophenyl 6-deoxy-, with the CAS registry number 22153-71-5, has the systematic name 4-nitrophenyl 6-deoxy-β-L-galactopyranoside. Its molecular formula is C12H15NO7 and its molecular weight is 285.25. Additionally, its product category is Substrates. However,  it should be stored at -20°C.

Other characteristics of the β-L-Galactopyranoside,4-nitrophenyl 6-deoxy- can be summarised as followings: (1)ACD/LogP: 1.17; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.17; (4)ACD/LogD (pH 7.4): 1.17; (5)ACD/BCF (pH 5.5): 4.56; (6)ACD/BCF (pH 7.4): 4.56; (7)ACD/KOC (pH 5.5): 103.07; (8)ACD/KOC (pH 7.4): 103.07; (9)#H bond acceptors: 8; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 91.97 Å2; (13)Index of Refraction: 1.623; (14)Molar Refractivity: 66.98 cm3; (15)Molar Volume: 189.7 cm3; (16)Polarizability: 26.55×10-24cm3; (17)Surface Tension: 61.2 dyne/cm; (18)Density: 1.503 g/cm3; (19)Flash Point: 265.5 °C; (20)Enthalpy of Vaporization: 82.88 kJ/mol; (21)Boiling Point: 515.4 °C at 760 mmHg; (22)Vapour Pressure: 1.9E-11 mmHg at 25°C.

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)C)cc2
2.InChI: InChI=1/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
3.InChIKey: YILIDCGSXCGACV-NFOQIUCIBY