Molecular Structure of b-D-Glucopyranoside, 2-nitrophenyl (CAS NO.2816-24-2):
IUPAC Name: (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(2-nitrophenoxy)oxane-3,4,5-triol
Empirical Formula: C12H15NO8
Molecular Weight: 301.2494
H bond acceptors: 9
H bond donors: 4
Freely Rotating Bonds: 8
Polar Surface Area: 101.2 Å2
Index of Refraction: 1.647
Molar Refractivity: 68.5 cm3
Molar Volume: 188.3 cm3
Surface Tension: 74.1 dyne/cm
Density: 1.599 g/cm3
Flash Point: 300 °C
Enthalpy of Vaporization: 90.27 kJ/mol
Boiling Point: 572.4 °C at 760 mmHg
Vapour Pressure: 6.1E-14 mmHg at 25°C
Storage temp: 2-8°C
Form: powder
Color: light yellow
BRN: 92206
InChI
InChI=1/C12H15NO8/c14-5-8-9(15)10(16)11(17)12(21-8)20-7-4-2-1-3-6(7)13(18)19/h1-4,8-12,14-17H,5H2/t8-,9-,10+,11-,12-/m1/s1
Smiles
O=[N+]([O-])c1ccccc1O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@H](CO)O1
EINECS: 220-568-5
Product Categories: Substrates; Glucosidase, beta-; Enzyme Substrates; Substrates by Enzyme; Glucoside;Activity; Chromogenic; ChromogenicSubstrates
Hazard Codes: Xi
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 22-24/25-36-26
S22:Do not breathe dust.
S24/25:Avoid contact with skin and eyes.
S36:Wear suitable protective clothing.
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
WGK Germany: 3
F: 3-10-21
b-D-Glucopyranoside, 2-nitrophenyl , with CAS number of 2816-24-2, can be called 2-Nitrophenyl .beta.-D-glucopyranoside ; beta-D-Glucopyranoside, 2-nitrophenyl (9CI) ; o-Nitrophenyl .beta.-D-glucopyranoside ; o-Nitrophenyl beta-D-glucopyranoside .
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