CAS No.76769-55-6,(+)-DIPIVALOYL-D-TARTARIC ACID Suppliers

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Basic Information

Molecular Structure:
CAS No.:	76769-55-6
Name:	(+)-DIPIVALOYL-D-TARTARIC ACID
Article Data:	2

Formula:	C₁₄H₂₂O₈
Molecular Weight:	318.324
Synonyms:	Butanedioicacid, 2,3-bis(2,2-dimethyl-1-oxopropoxy)-, [S-(R,R)]- (9CI);D-Dipivaloyltartaric acid;Di-O,O'-pivaloyl-D-tartaric acid;
Density:	1.24 g/cm³
Melting Point:	127-130 °C(lit.)
Boiling Point:	436.6 °C at 760 mmHg
Flash Point:	153.8 °C
Safety:	22-24/25
PSA:	127.20000
LogP:	1.07140

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Specification

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