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CAS No.: | 191605-10-4 |
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Name: | Di-p-anisoyl-D-tartaric acid |
Article Data: | 4 |
Molecular Structure: | |
Formula: | C20H18O10 |
Molecular Weight: | 418.357 |
Synonyms: | Butanedioicacid, 2,3-bis[(4-methoxybenzoyl)oxy]-, [S-(R*,R*)]-;(2S,3S)-(+)-Di(p-anisoyl)tartaric acid;(S,S)-Di-p-anisoyltartaric acid; |
EINECS: | 471-150-6 |
Density: | 1.408 g/cm3 |
Melting Point: | 193-195 °C |
Boiling Point: | 681.554 °C at 760 mmHg |
Flash Point: | 241.638 °C |
Appearance: | white to light yellow crystal powder |
PSA: | 145.66000 |
LogP: | 1.62400 |
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The Di-p-anisoyl-D-tartaric acid, with the CAS registry number 191605-10-4, is also known as Butanedioic acid, 2,3-bis[(4-methoxybenzoyl)oxy]-, (2S,3S)-. It belongs to the product categories of Chiral; Carboxylic Acids (Chiral); Chiral Building Blocks; Synthetic Organic Chemistry; Chiral Chemicals; Hydroxy Acids & Deriv. Its EINECS registry number is 471-150-6. This chemical's molecular formula is C20H18O10 and molecular weight is 418.35. What's more, both its IUPAC name and systematic name are the same which is called (2S,3S)-2,3-Bis[(4-methoxybenzoyl)oxy]butanedioic acid.
Physical properties about Di-p-anisoyl-D-tartaric acid are: (1)ACD/LogP: 6.614; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 1.88; (4)ACD/LogD (pH 7.4): 1.86; (5)ACD/BCF (pH 5.5): 1.14; (6)ACD/BCF (pH 7.4): 1.11; (7)ACD/KOC (pH 5.5): 1.72; (8)ACD/KOC (pH 7.4): 1.68; (9)#H bond acceptors: 10; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 11; (12)Polar Surface Area: 145.66 Å2; (13)Index of Refraction: 1.586; (14)Molar Refractivity: 99.672 cm3; (15)Molar Volume: 297.139 cm3; (16)Polarizability: 39.513×10-24cm3; (17)Surface Tension: 58.954 dyne/cm; (18)Density: 1.408 g/cm3; (19)Flash Point: 241.638 °C; (20)Enthalpy of Vaporization: 105.032 kJ/mol; (21)Boiling Point: 681.554 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)[C@@H](OC(=O)c1ccc(OC)cc1)[C@H](OC(=O)c2ccc(OC)cc2)C(=O)O
(2) InChI: InChI=1S/C20H18O10/c1-27-13-7-3-11(4-8-13)19(25)29-15(17(21)22)16(18(23)24)30-20(26)12-5-9-14(28-2)10-6-12/h3-10,15-16H,1-2H3,(H,21,22)(H,23,24)/t15-,16-/m0/s1
(3) InChIKey: KWWCVCFQHGKOMI-HOTGVXAUSA-N