Name: FMOC-L-BETA-HOMOTYROSINE(OTBU)
SKU: 219967-69-8

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Basic Information

Molecular Structure:
CAS No.:	219967-69-8
Name:	FMOC-L-BETA-HOMOTYROSINE(OTBU)
Article Data:	1

Formula:	C₂₉H₃₁NO₅
Molecular Weight:	473.569
Synonyms:	Fmoc-b-Homo-Tyr(tbu)-OH;
Density:	1.203g/cm³
Melting Point:	105-110℃
Boiling Point:	671.4 °C at 760 mmHg
Flash Point:	359.8 °C
PSA:	84.86000
LogP:	6.17930

Total:29 Page 1 of 1 1

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Specification

The Benzenebutanoic acid,4-(1,1-dimethylethoxy)-β-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-, (bS)-, with CAS registry number, has the systematic name of (3S)-4-(4-tert-butoxyphenyl)-3-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}butanoic acid. This chemical belongs to the following product categories: (1)β-Homo Amino Acids; (2)Beta amino acids; (3)Unusual Amino Acids; (4)Amino Acid Derivatives. This chemical should be stored at the temperature of 2-8°C. And the chemical formula of this chemical is C₂₉H₃₁NO₅.

Physical properties of Benzenebutanoic acid,4-(1,1-dimethylethoxy)-β-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-, (bS)-: (1)ACD/LogP: 6.77; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.51; (4)ACD/LogD (pH 7.4): 3.73; (5)ACD/BCF (pH 5.5): 4559.31; (6)ACD/BCF (pH 7.4): 75.07; (7)ACD/KOC (pH 5.5): 6373.37; (8)ACD/KOC (pH 7.4): 104.94; (9)#H bond acceptors: 6; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 10; (12)Polar Surface Area: 65.07 Å²; (13)Index of Refraction: 1.594; (14)Molar Refractivity: 133.57 cm³; (15)Molar Volume: 393.5 cm³; (16)Polarizability: 52.95×10^-24cm³; (17)Surface Tension: 49.7 dyne/cm; (18)Density: 1.203 g/cm³; (19)Flash Point: 359.8 °C; (20)Enthalpy of Vaporization: 103.62 kJ/mol; (21)Boiling Point: 671.4 °C at 760 mmHg; (22)Vapour Pressure: 6.12E-19 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)C[C@@H](NC(=O)OCC3c1ccccc1c2c3cccc2)Cc4ccc(OC(C)(C)C)cc4
(2)InChI: InChI=1/C29H31NO5/c1-29(2,3)35-21-14-12-19(13-15-21)16-20(17-27(31)32)30-28(33)34-18-26-24-10-6-4-8-22(24)23-9-5-7-11-25(23)26/h4-15,20,26H,16-18H2,1-3H3,(H,30,33)(H,31,32)/t20-/m0/s1
(3)InChIKey: PAFSELQEYJTCCG-FQEVSTJZBC
(4)Std. InChI: InChI=1S/C29H31NO5/c1-29(2,3)35-21-14-12-19(13-15-21)16-20(17-27(31)32)30-28(33)34-18-26-24-10-6-4-8-22(24)23-9-5-7-11-25(23)26/h4-15,20,26H,16-18H2,1-3H3,(H,30,33)(H,31,32)/t20-/m0/s1
(5)Std. InChIKey: PAFSELQEYJTCCG-FQEVSTJZSA-N