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Fmoc-S-benzyl-L-cysteine

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Name

Fmoc-S-benzyl-L-cysteine

EINECS N/A
CAS No. 53298-33-2 Density 1.298 g/cm3
PSA 100.93000 LogP 5.30260
Solubility N/A Melting Point N/A
Formula C25H23NO4S Boiling Point 663.173 °C at 760 mmHg
Molecular Weight 433.528 Flash Point 354.874 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 53298-33-2 (FMOC-CYS(BZL)-OH) Hazard Symbols N/A
Synonyms

Fmoc-Cys(Bzl)-OH; (2R)-3-benzylsulfanyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid;

Article Data 3

Fmoc-S-benzyl-L-cysteine Standards and Recommendations

Purity (HPLC): Not less than 98.0%

Fmoc-S-benzyl-L-cysteine Specification

The Fmoc-S-benzyl-L-cysteine is an organic compound with the formula C25H23NO4S. The systematic name of this chemical is S-benzyl-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-cysteine. With the CAS registry number 53298-33-2, it is also named as Fmoc-Cys(Bzl)-OH. The molecular weight is 433.52. In addition, this chemical should be stored at RT..

The other characteristics of Fmoc-S-benzyl-L-cysteine can be summarized as: (1)ACD/LogP: 5.48; (2)# of Rule of 5 Violations: 1; (3)#H bond acceptors: 5; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 9; (6)Polar Surface Area: 100.93 Å2; (7)Index of Refraction: 1.645; (8)Molar Refractivity: 121.031 cm3; (9)Molar Volume: 333.903 cm3; (10)Polarizability: 47.981×10-24 cm3; (11)Surface Tension: 58.819 dyne/cm; (12)Density: 1.298 g/cm3; (13)Flash Point: 354.874 °C; (14)Enthalpy of Vaporization: 102.487 kJ/mol; (15)Boiling Point: 663.173 °C at 760 mmHg; (16)Vapour Pressure: 0 mmHg at 25°C.

People can use the following data to convert to the molecule structure.
1. SMILES:O=C(O)[C@@H](NC(=O)OCC3c1ccccc1c2c3cccc2)CSCc4ccccc4
2. InChI:InChI=1/C25H23NO4S/c27-24(28)23(16-31-15-17-8-2-1-3-9-17)26-25(29)30-14-22-20-12-6-4-10-18(20)19-11-5-7-13-21(19)22/h1-13,22-23H,14-16H2,(H,26,29)(H,27,28)/t23-/m0/s1
3. InChIKey:AKXYVGAAQGLAMD-QHCPKHFHBZ
4. Std. InChI:InChI=1S/C25H23NO4S/c27-24(28)23(16-31-15-17-8-2-1-3-9-17)26-25(29)30-14-22-20-12-6-4-10-18(20)19-11-5-7-13-21(19)22/h1-13,22-23H,14-16H2,(H,26,29)(H,27,28)/t23-/m0/s1
5. Std. InChIKey:AKXYVGAAQGLAMD-QHCPKHFHSA-N

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