ASSAY (HPLC) of 7-Aminocephalosporanic Acid: 95.0 - 102.0 %
IDENTITY: corresponding (IR-spectrum, HPLC)
pH: 3.0 - 5.0
OPTICAL ROTATION: +88° min
SULFATED ASH: 0.3% max
HEAVY METALS: 50ppm max
MOISTURE: 1.5% max
TRANSMITTANCE: 88.0% min (420 nm)

The purity of the isolated 7-Aminocephalosporanic Acid is analysed by reverse phase C18 HPLC using a Shimadzu HPLC system (LC- 10AT, Shimadzu, Japan) equipped with a Merck C18 column (5μm, Merck, Ger- many). The mobile phase was 2﹪ Acetonitrile in 20 mM AMMONIUM ACETATE pH 5.7 at 1.2 ml/min flow rate. Sample size was 20μl. The absorbance of the eluent was monitored at 260 nm. 7-ACA from Sigma, USA, served as a standard.

The 7-Aminocephalosporanic Acid, with the CAS registry number 957-68-6, is also known as 7-ACA; (6R,7S)-3-(Acetyloxymethyl)-7-amino-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid.It belongs to the product categories of Biochemistry;Amines;Chiral Reagents;Heterocycles;Intermediates & Fine Chemicals;Pharmaceuticals. This chemical's molecular formula is C₁₀H₁₂N₂O₅S and molecular weight is 259.09. Its EINECS number is 213-485-0. What's more,Its systematic name is 3-Acetoxymethylen-7-amino-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid.

Physical properties about 7-Aminocephalosporanic Acid are:(1)ACD/LogP: -1.87; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -4.56; (4)ACD/LogD (pH 7.4): -5.55; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.00; (8)ACD/KOC (pH 7.4): 1.00; (9)#H bond acceptors: 7; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 5; (12)Index of Refraction: 1.661; (13)Molar Refractivity: 62.815 cm³; (14)Molar Volume: 170.008 cm³; (15)Surface Tension: 80.2900009155273 dyne/cm; (16)Density: 1.602 g/cm³; (17)Flash Point: 292.852 °C; (18)Enthalpy of Vaporization: 92.178 kJ/mol; (19)Boiling Point: 560.619 °C at 760 mmHg; (20)Vapour Pressure: 0 mmHg at 25°C;

The 7-Aminocephalosporanic Acid may cause sensitization by inhalation and skin contact.It is harmful by inhalation, in contact with skin and if swallowed,irritating to eyes, respiratory system and skin.When you use it,do not breathe dust,
avoid contact with skin and eyes,wear suitable protective clothing and gloves.In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES:O=C2N1/C(=C(\CS[C@@H]1[C@@H]2N)COC(=O)C)C(=O)O;
(2)Std. InChI:InChI=1S/C10H12N2O5S/c1-4(13)17-2-5-3-18-9-6(11)8(14)12(9)7(5)10(15)16/h6,9H,2-3,11H2,1H3,(H,15,16)/t6-,9-/m1/s1;
(3)Std. InChIKey:HSHGZXNAXBPPDL-HZGVNTEJSA-N.