The Butanedioic acid,2,3-bis(2,2-dimethyl-1-oxopropoxy)-, (2S,3S)-, with the CAS registry number 76769-55-6, has the systematic name of (2S,3S)-2,3-bis[(2,2-dimethylpropanoyl)oxy]butanedioic acid. It belongs to the following product categories: Chiral; Asymmetric Synthesis; Synthetic Organic Chemistry. And the molecular formula of the chemical is C14H22O8. What's more, while dealing with this chemical, you should not breathe dust and then try to avoid contacting with skin and eyes.
The characteristics of Butanedioic acid,2,3-bis(2,2-dimethyl-1-oxopropoxy)-, (2S,3S)- are as followings: (1)ACD/LogP: 3.74; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 8; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 9; (10)Polar Surface Area: 127.2 Å2; (11)Index of Refraction: 1.483; (12)Molar Refractivity: 73.43 cm3; (13)Molar Volume: 256.6 cm3; (14)Polarizability: 29.11×10-24cm3; (15)Surface Tension: 45.6 dyne/cm; (16)Density: 1.24 g/cm3; (17)Flash Point: 153.8 °C; (18)Enthalpy of Vaporization: 76 kJ/mol; (19)Boiling Point: 436.6 °C at 760 mmHg; (20)Vapour Pressure: 7.6E-09 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: CC(C)(C)C(=O)O[C@@H]([C@H](OC(=O)C(C)(C)C)C(O)=O)C(=O)O
(2)InChI: InChI=1/C14H22O8/c1-13(2,3)11(19)21-7(9(15)16)8(10(17)18)22-12(20)14(4,5)6/h7-8H,1-6H3,(H,15,16)(H,17,18)/t7-,8-/m0/s1
(3)InChIKey: UFHJEZDFEHUYCR-YUMQZZPRBG
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