5(6)-(N-SUCCINIMIDYLOXYCARBONYL)-3',6',O,O'-DIACETYLFLUORESCEIN

The 5-Carboxyfluorescein diacetate N-succinimidyl ester, with CAS registry number 150347-59-4, has the systematic name of 6-{[(2,5-dioxopyrrolidin-1-yl)oxy]carbonyl}-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthene]-3',6'-diyl diacetate. Besides this, it is also called 2,5-Pyrrolidinedione, 1-[[[3',6'-bis(acetyloxy)-3-oxospiro[isobenzofuran-1(3H),9'-[9H]xanthen]-6-yl]carbonyl]oxy]-. This chemical should be stored at the temperature of −20°C.

Physical properties of 5-Carboxyfluorescein diacetate N-succinimidyl ester: (1)ACD/LogP: 0.50; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 0.5; (4)ACD/LogD (pH 7.4): 0.5; (5)ACD/BCF (pH 5.5): 1.41; (6)ACD/BCF (pH 7.4): 1.41; (7)ACD/KOC (pH 5.5): 44.5; (8)ACD/KOC (pH 7.4): 44.5; (9)#H bond acceptors: 12; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 151.81 Å²; (13)Index of Refraction: 1.701; (14)Molar Refractivity: 134.24 cm³; (15)Molar Volume: 346.8 cm³; (16)Polarizability: 53.21×10^-24cm³; (17)Surface Tension: 83.3 dyne/cm; (18)Enthalpy of Vaporization: 111.46 kJ/mol; (19)Vapour Pressure: 2.45E-23 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C6N(OC(=O)c5cc1c(C(=O)OC13c4ccc(OC(=O)C)cc4Oc2cc(OC(=O)C)ccc23)cc5)C(=O)CC6
(2)InChI: InChI=1/C29H19NO11/c1-14(31)37-17-4-7-20-23(12-17)39-24-13-18(38-15(2)32)5-8-21(24)29(20)22-11-16(3-6-19(22)28(36)40-29)27(35)41-30-25(33)9-10-26(30)34/h3-8,11-13H,9-10H2,1-2H3
(3)InChIKey: JGPOSNWWINVNFV-UHFFFAOYAD
(4)Std. InChI: InChI=1S/C29H19NO11/c1-14(31)37-17-4-7-20-23(12-17)39-24-13-18(38-15(2)32)5-8-21(24)29(20)22-11-16(3-6-19(22)28(36)40-29)27(35)41-30-25(33)9-10-26(30)34/h3-8,11-13H,9-10H2,1-2H3
(5)Std. InChIKey: JGPOSNWWINVNFV-UHFFFAOYSA-N