L-Ascorbic acid,2-(dihydrogen phosphate)

The L-Ascorbic acid,2-(dihydrogen phosphate), with the CAS registry number of 23313-12-4, is also known as Ascorbyl-2-phosphate. The IUPAC name is [(5R)-5-[(1S)-1,2-Dihydroxyethyl]-2-hydroxy-4-oxofuran-3-yl] dihydrogen phosphate. In addition, the molecular formula is C₆H₉O₉P and molecular weight is 256.10. It is a kind of Antineoplastic Agents. And it can be used as inhibitor of ascorbate-2-sulfate sulfohydrolase which come from bovine liver.

Physical properties about the L-Ascorbic acid,2-(dihydrogen phosphate) are: (1)ACD/LogP: -4.13; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -8.53; (4)ACD/LogD (pH 7.4): -9.56; (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: 9; (10)#H bond donors: 5; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 108.56 Å²; (13)Index of Refraction: 1.629; (14)Molar Refractivity: 45.2 cm³; (15)Molar Volume: 127.2 cm³; (16)Surface Tension: 117.7 dyne/cm; (17)Density: 2.01 g/cm³; (18)Flash Point: 293.2 °C; (19)Enthalpy of Vaporization: 96.98 kJ/mol; (20)Boiling Point: 561.3 °C at 760 mmHg; (21)Vapour Pressure: 6.19E-15 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=P(OC=1C(=O)[C@H](OC=1O)[C@@H](O)CO)(O)O
(2) InChI: InChI=1/C6H9O9P/c7-1-2(8)4-3(9)5(6(10)14-4)15-16(11,12)13/h2,4,7-8,10H,1H2,(H2,11,12,13)/t2-,4+/m0/s1
(3) InChIKey: DWGPSNYAMMWMIW-ZAFYKAAXBE