2-Aminophenyl-beta-D-glucuronic acid supplier

Name
2-AMINOPHENYL-BETA-D-GLUCURONIC ACID
EINECS 240-094-2
CAS No. 15959-03-2
Density 1.653g/cm³
Solubility
Melting Point
Formula C₁₂H₁₅NO₇
Boiling Point 603.3 °C at 760 mmHg
Molecular Weight 285.25
Flash Point 318.7 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Glucopyranosiduronicacid, o-aminophenyl, b-D- (8CI);2-Aminophenol glucuronide;2-Aminophenol glucuronoside;
PSA 142.47000
LogP -0.87900

2-Aminophenyl-beta-D-glucuronic acid Specification

The 2-Aminophenyl-beta-D-glucuronic acid is an organic compound with the formula C₁₂H₁₅NO₇. The IUPAC name of this chemical is (2S,3S,4S,5R,6S)-6-(2-aminophenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid. With the CAS registry number 15959-03-2, it is also named as o-aminophenyl β-D-glucopyranosiduronic acid.

Physical properties about 2-Aminophenyl-beta-D-glucuronic acid are: (1)ACD/LogP: -2.05; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -4.89; (4)ACD/LogD (pH 7.4): -5.76; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 8; (10)#H bond donors: 6; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 75.69 Å²; (13)Index of Refraction: 1.692; (14)Molar Refractivity: 66.07 cm³; (15)Molar Volume: 172.4 cm3; (16)Polarizability: 26.19×10^-24cm³; (17)Surface Tension: 100.5 dyne/cm; (18)Density: 1.653 g/cm³; (19)Flash Point: 318.7 °C; (20)Enthalpy of Vaporization: 94.36 kJ/mol; (21)Boiling Point: 603.3 °C at 760 mmHg; (22)Vapour Pressure: 2.09E-15 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)[C@H]2O[C@@H](Oc1c(N)cccc1)[C@H](O)[C@@H](O)[C@@H]2O
(2)InChI: InChI=1/C12H15NO7/c13-5-3-1-2-4-6(5)19-12-9(16)7(14)8(15)10(20-12)11(17)18/h1-4,7-10,12,14-16H,13H2,(H,17,18)/t7-,8-,9+,10-,12+/m0/s1 CopyCopied ; (3)InChIKey: ZVFVTBSWJWONEI-GOVZDWNOBE
(4)Std. InChI: InChI=1S/C12H15NO7/c13-5-3-1-2-4-6(5)19-12-9(16)7(14)8(15)10(20-12)11(17)18/h1-4,7-10,12,14-16H,13H2,(H,17,18)/t7-,8-,9+,10-,12+/m0/s1
(5)Std. InChIKey: ZVFVTBSWJWONEI-GOVZDWNOSA-N

Product Name

2-AMINOPHENYL-BETA-D-GLUCURONIC ACID

2-Aminophenyl-beta-D-glucuronic acid Specification

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