Basic Information | Post buying leads | Suppliers | Cas Database |
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 | 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 |
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