Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
N,N'-Bis(benzyloxycarbonyl)-L-cystine |
EINECS | 230-181-3 |
CAS No. | 6968-11-2 | Density | 1.422 g/cm3 |
PSA | 201.86000 | LogP | 3.90880 |
Solubility | N/A | Melting Point |
118-122 °C |
Formula | C22H24N2O8S2 | Boiling Point | 766.1 °C at 760 mmHg |
Molecular Weight | 508.573 | Flash Point | 417.1 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 24/25 | Risk Codes | N/A |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Cystine,N,N'-dicarboxy-, N,N'-dibenzyl ester, L- (8CI);L-Cystine, N,N'-dicarboxy-,N,N'-dibenzyl ester (6CI);Dicarbobenzoxy-L-cystine;N,N'-Bis(benzyloxycarbonyl)-L-cystine;N,N'-Bis(benzyloxycarbonyl)cystine;N,N'-Dicarbobenzoxy-L-cystine;N,N'-Dicarbobenzoxycystine;N,N'-Dicarboxy-L-cystine N,N'-dibenzyl ester;N,N'-DicarboxycystineN,N'-dibenzyl ester;NSC 154939;NSC 20645;NSC 88480;(Z-Cys-OH)2; |
Article Data | 19 |
The L-Cystine,N,N'-bis[(phenylmethoxy)carbonyl]-, with the CAS registry number 6968-11-2, is also known as N,N'-Dibenzyloxycarbonyl-L-cystine and (Z-Cys-OH)2. It belongs to the product categories of Amino Acid Derivatives; Cysteine [Cys, C]; Z-Amino Acids and Derivatives; Amino Acids and Derivatives; Amino Acids; Amino Acids (N-Protected); Biochemistry; Cbz-Amino Acids; Z-Amino Acid Series. Its EINECS registry number is 230-181-3. This chemical's molecular formula is C22H24N2O8S2 and molecular weight is 508.56. What's more, its IUPAC name is 3-[[3-Hydroxy-3-oxo-2-(phenylmethoxycarbonylamino)propyl]disulfanyl]-2-(phenylmethoxycarbonylamino)propanoic acid and systematic name is called N,N'-Bis[(benzyloxy)carbonyl]-L-cystine.
Physical properties about L-Cystine,N,N'-bis[(phenylmethoxy)carbonyl]- are: (1)ACD/LogP: 6.01; (2)# of Rule of 5 Violations: 3; (3)#H bond acceptors: 10; (4)#H bond donors: 4; (5)#Freely Rotating Bonds: 15; (6)Polar Surface Area: 162.28 Å2; (7)Index of Refraction: 1.629; (8)Molar Refractivity: 127.13 cm3; (9)Molar Volume: 357.5 cm3; (10)Polarizability: 50.39×10-24cm3; (11)Surface Tension: 66 dyne/cm; (12)Density: 1.422 g/cm3; (13)Flash Point: 417.1 °C; (14)Enthalpy of Vaporization: 117.04 kJ/mol; (15)Boiling Point: 766.1 °C at 760 mmHg; (16)Vapour Pressure: 1.11E-24 mmHg at 25°C; (17)Melting Point: 118-122 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)[C@@H](NC(=O)OCc1ccccc1)CSSC[C@@H](C(=O)O)NC(=O)OCc2ccccc2
(2) InChI: InChI=1/C22H24N2O8S2/c25-19(26)17(23-21(29)31-11-15-7-3-1-4-8-15)13-33-34-14-18(20(27)28)24-22(30)32-12-16-9-5-2-6-10-16/h1-10,17-18H,11-14H2,(H,23,29)(H,24,30)(H,25,26)(H,27,28)/t17-,18-/m0/s1
(3) InChIKey: PTRQEEVKHMDMCF-ROUUACIJBZ