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Fmoc-L-beta-homoglutamic acid 6-tert-butyl ester

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Name

Fmoc-L-beta-homoglutamic acid 6-tert-butyl ester

EINECS N/A
CAS No. 203854-49-3 Density 1.214 g/cm3
PSA 101.93000 LogP 4.88120
Solubility Slightly soluble in water. Melting Point 115-120℃
Formula C25H29NO6 Boiling Point 638.8 °C at 760 mmHg
Molecular Weight 439.508 Flash Point 340.2 °C
Transport Information N/A Appearance N/A
Safety 22-24/25 Risk Codes N/A
Molecular Structure Molecular Structure of 203854-49-3 (Fmoc-L-beta-homoglutamic acid 6-tert-butyl ester) Hazard Symbols N/A
Synonyms

Hexanedioicacid, 3-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-, 6-(1,1-dimethylethyl)ester, (S)-;Fmoc-b-homo-Glu(OtBu)-OH;Fmoc-β-HoGlu(OtBu)-OH;

Article Data 5

Fmoc-L-beta-homoglutamic acid 6-tert-butyl ester Specification

The Hexanedioic acid,3-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-, 6-(1,1-dimethylethyl) ester,(3S)-, with the CAS registry number 203854-49-3, has the systematic name of 6-tert-butoxy-3-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-6-oxohexanoic acid. It belongs to the following product categories: β-Homo Amino Acids; Beta amino acids; Unusual Amino Acids; Amino Acid Derivatives, and it should be stored at 2-8°C. The molecular formula of the chemical is C25H29NO6. 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 Hexanedioic acid,3-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-, 6-(1,1-dimethylethyl) ester,(3S)- are as followings: (1)ACD/LogP: 5.20; (2)# of Rule of 5 Violations: 1 ; (3)#H bond acceptors: 7; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 11; (6)Polar Surface Area: 82.14 Å2; (7)Index of Refraction: 1.566; (8)Molar Refractivity: 118.08 cm3; (9)Molar Volume: 361.8 cm3; (10)Polarizability: 46.81×10-24cm3; (11)Surface Tension: 49.6 dyne/cm; (12)Density: 1.214 g/cm3; (13)Flash Point: 340.2 °C; (14)Enthalpy of Vaporization: 99.16 kJ/mol; (15)Boiling Point: 638.8 °C at 760 mmHg; (16)Vapour Pressure: 3.4E-17 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(OC(C)(C)C)CCC(NC(=O)OCC3c1ccccc1c2c3cccc2)CC(=O)O
(2)InChI: InChI=1/C25H29NO6/c1-25(2,3)32-23(29)13-12-16(14-22(27)28)26-24(30)31-15-21-19-10-6-4-8-17(19)18-9-5-7-11-20(18)21/h4-11,16,21H,12-15H2,1-3H3,(H,26,30)(H,27,28)
(3)InChIKey: XPCDWOCHPTYDPV-UHFFFAOYAC

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