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113534-17-1

Basic Information
CAS No.: 113534-17-1
Name: FMOC-GLN(MBH)-OH
Molecular Structure:
Molecular Structure of 113534-17-1 (FMOC-GLN(MBH)-OH)
Formula: C35H34N2O7
Molecular Weight: 594.664
Synonyms: FMOC-N-DELTA-4,4-DIMETHOXYBENZHYDRYL-L-GLUTAMINE;FMOC-GLUTAMINE(DOD)-OH;FMOC-GLN(MBH)-OH;FMOC-GLN(DOD)-OH;N-ALPHA-(9-FLUORENYLMETHOXYCARBONYL)-N-GAMMA-(4,A-DIMETHOXYBENZHYDRYL)-L-GLUTAMINE;N-ALPHA-FMOC-N-DELTA-(4,4-DIMETHOXYBENZHYDRYL)-L-GLUTAMINE;N-ALPHA-FMOC-GAMMA-(4,4-DIMETHOXYBENZHYDRY)-L-GLUTAMINE;N-ALPHA-FMOC-L-GLUTAMINE (4,4-DIMETHOXYBENZHYDRYL DERIVATIVE)
Density: 1.263 g/cm3
Boiling Point: 872.8 °C at 760 mmHg
Flash Point: 481.7 °C
Safety: 22-24/25
PSA: 123.19000
LogP: 6.46330
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  • (2S)-5-[bis(4-Methoxyphenyl)methylamino]-2-(9H-fluoren-9-ylmethoxycarbonylamino)-5-oxo-pentanoic acid

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Specification

This chemical is called (2S)-5-[bis(4-Methoxyphenyl)methylamino]-2-(9H-fluoren-9-ylmethoxycarbonylamino)-5-oxo-pentanoic acid, and its CAS registry number is 113534-17-1. With the molecular formula of C35H34N2O7, its molecular weight is 594.65.

Other characteristics of the (2S)-5-[bis(4-Methoxyphenyl)methylamino]-2-(9H-fluoren-9-ylmethoxycarbonylamino)-5-oxo-pentanoic acid can be summarised as followings: (1)ACD/LogP: 6.03; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 3.81; (4)ACD/LogD (pH 7.4): 2.43; (5)#H bond acceptors: 9; (6)#H bond donors: 3; (7)#Freely Rotating Bonds: 13; (8)Polar Surface Area: 123.19 Å2; (9)Index of Refraction: 1.612; (10)Molar Refractivity: 163.68 cm3; (11)Molar Volume: 470.7 cm3; (12)Polarizability: 64.88×10-24cm3; (13)Surface Tension: 53.4 dyne/cm; (14)Density: 1.263 g/cm3; (15)Flash Point: 481.7 °C; (16)Enthalpy of Vaporization: 132.89 kJ/mol; (17)Boiling Point: 872.8 °C at 760 mmHg; (18)Vapour Pressure: 1.46E-32 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following: Do not breathe dust. Avoid contacting with skin and eyes.

You can still convert the following datas into molecular structure: 
1.SMILES: COc1ccc(cc1)C(NC(=O)CC[C@H](NC(=O)OCC4c2ccccc2c3ccccc34)C(O)=O)c5ccc(OC)cc5
2.InChI: InChI=1/C35H34N2O7/c1-42-24-15-11-22(12-16-24)33(23-13-17-25(43-2)18-14-23)37-32(38)20-19-31(34(39)40)36-35(41)44-21-30-28-9-5-3-7-26(28)27-8-4-6-10-29(27)30/h3-18,30-31,33H,19-21H2,1-2H3,(H,36,41)(H,37,38)(H,39,40)/t31-/m0/s1
3.InChIKey: LATICJFEOIZOBM-HKBQPEDEBE