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25129-20-8

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Basic Information
CAS No.: 25129-20-8
Name: N,N'-DIBENZOYL-L-CYSTINE
Article Data: 12
Molecular Structure:
Molecular Structure of 25129-20-8 (N,N'-DIBENZOYL-L-CYSTINE)
Formula: C20H20N2O6S2
Molecular Weight: 448.521
Synonyms: N,N'-Dibenzoyl-L-cystine;
EINECS: 246-640-6
Density: 1.423 g/cm3
Melting Point: 195-200 °C
Boiling Point: 814.3 °C at 760 mmHg
Flash Point: 446.3 °C
Safety: 22-24/25
PSA: 183.40000
LogP: 2.91600
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    About Product Details Chemical & Physical Properties Density 1.423 Melting Point 195-200 °C (dec.) Molecular Formula C20H20N2O6S2 Molecular Weight 448.51300

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Specification

The N,N'-dibenzoyl-meso-cystine, with the CAS registry number 25129-20-8, is also known as N,N'-Dibenzoyl-L-cystine. It belongs to the product categories of Amino Acids; Amino Acid Derivatives; Cysteine/Cystine; Peptide Synthesis. Its EINECS registry number is 246-640-6. This chemical's molecular formula is C20H20N2O6S2 and molecular weight is 448.51. What's more, its systematic name is called N,N'-Bis(phenylcarbonyl)-L-cystine. When you are dealing with this chemical, you should be very careful. Therefore, you should not breathe dust. And avoid contacting with skin and eyes.

Physical properties about N,N'-dibenzoyl-meso-cystine are: (1)ACD/LogP: 3.90; (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: 4; (9)#Freely Rotating Bonds: 11; (10)Polar Surface Area: 183.4 Å2; (11)Index of Refraction: 1.652; (12)Molar Refractivity: 115.27 cm3; (13)Molar Volume: 314.9 cm3; (14)Surface Tension: 68.8 dyne/cm; (15)Density: 1.423 g/cm3; (16)Flash Point: 446.3 °C; (17)Enthalpy of Vaporization: 124.1 kJ/mol; (18)Boiling Point: 814.3 °C at 760 mmHg; (19)Vapour Pressure: 4.94E-28 mmHg at 25 °C; (20)Melting Point: 195-200 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(N[C@@H](CSSC[C@H](NC(=O)c1ccccc1)C(O)=O)C(O)=O)c2ccccc2
(2) InChI: InChI=1/C20H20N2O6S2/c23-17(13-7-3-1-4-8-13)21-15(19(25)26)11-29-30-12-16(20(27)28)22-18(24)14-9-5-2-6-10-14/h1-10,15-16H,11-12H2,(H,21,23)(H,22,24)(H,25,26)(H,27,28)/t15-,16-/m0/s1
(3) InChIKey: GUTXMPQWQSOAIY-HOTGVXAUBD