Fmoc-L-beta-homoleucine supplier

Name
FMOC-L-BETA-HOMOLEUCINE
EINECS
CAS No. 193887-44-4
Article Data6
CAS DataBase
Density 1.189 g/cm³
Solubility
Melting Point 110 °C
Formula C₂₂H₂₅NO₄
Boiling Point 572.1 °C at 760 mmHg
Molecular Weight 367.445
Flash Point 299.8 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Hexanoicacid, 3-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-5-methyl-, (S)-;(3S)-3-{[(9H-Fluoren-9-ylmethoxy)carbonyl]amino}-5-methylhexanoic acid;
PSA 75.63000
LogP 4.80540

Fmoc-L-beta-homoleucine Specification

The Hexanoic acid,3-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-5-methyl-, (3S)-, with the CAS registry number 193887-44-4, is also known as Fmoc-L-β-homoleucine. It belongs to the product categories of β-Homo Amino Acids; Beta Amino Acids; Unusual Amino Acids. This chemical's molecular formula is C₂₂H₂₅NO₄ and molecular weight is 367.44. Its IUPAC name is called (3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-5-methylhexanoic acid.

Physical properties of Hexanoic acid,3-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-5-methyl-, (3S)-: (1)ACD/LogP: 5.12; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 3.88; (4)ACD/LogD (pH 7.4): 2.09; (5)ACD/BCF (pH 5.5): 261.24; (6)ACD/BCF (pH 7.4): 4.29; (7)ACD/KOC (pH 5.5): 827.49; (8)ACD/KOC (pH 7.4): 13.59; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 8; (12)Index of Refraction: 1.576; (13)Molar Refractivity: 102.4 cm³; (14)Molar Volume: 309.1 cm³; (15)Surface Tension: 49.1 dyne/cm; (16)Density: 1.188 g/cm³; (17)Flash Point: 299.8 °C; (18)Enthalpy of Vaporization: 90.23 kJ/mol; (19)Boiling Point: 572.1 °C at 760 mmHg; (20)Vapour Pressure: 6.3E-14 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(C)CC(CC(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
(2)Isomeric SMILES: CC(C)C[C@@H](CC(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
(3)InChI: InChI=1S/C22H25NO4/c1-14(2)11-15(12-21(24)25)23-22(26)27-13-20-18-9-5-3-7-16(18)17-8-4-6-10-19(17)20/h3-10,14-15,20H,11-13H2,1-2H3,(H,23,26)(H,24,25)/t15-/m0/s1
(4)InChIKey: YLVSABQQLLRFIJ-HNNXBMFYSA-N

Product Name

FMOC-L-BETA-HOMOLEUCINE

Fmoc-L-beta-homoleucine Specification

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