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Fmoc-O-tert-butyl-D-tyrosine

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Name

Fmoc-O-tert-butyl-D-tyrosine

EINECS N/A
CAS No. 118488-18-9 Density 1.218 g/cm3
PSA 84.86000 LogP 5.78920
Solubility Soluble in 1 mmole in 2 ml dimethylformamide (Clearly soluble). Slightly soluble in water. Melting Point 145-155oC
Formula C28H29NO5 Boiling Point 658.2 °C at 760 mmHg
Molecular Weight 459.542 Flash Point 351.9 °C
Transport Information N/A Appearance White Powder with lumps
Safety 22-24/25 Risk Codes N/A
Molecular Structure Molecular Structure of 118488-18-9 (Fmoc-D-Tyr(tBu)-OH) Hazard Symbols N/A
Synonyms

Fmoc-D-Tyr(tBu)-OH;

Article Data 13

Fmoc-O-tert-butyl-D-tyrosine Specification

The Fmoc-D-Tyr(tBu)-OH is an organic compound with the formula C28H29NO5. The systematic name of this chemical is O-tert-butyl-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-D-tyrosine. With the CAS registry number 118488-18-9, it is also named as (2R)-3-[4-(tert-butoxy)phenyl]-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}propanoic acid. The product's categories are Amino Acids; Tyrosine [Tyr, Y]; Fmoc-Amino Acids and Derivatives; Fmoc-Amino Acid Series. Besides, it should be stored in a closed place at temperature of 2 - 8 °C.

Physical properties about Fmoc-D-Tyr(tBu)-OH are: (1)D/LogP: 6.55; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 4.46; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 457.54; (6)ACD/BCF (pH 7.4): 15.62; (7)ACD/KOC (pH 5.5): 712.47; (8)ACD/KOC (pH 7.4): 24.33; (9)#H bond acceptors: 6; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 9; (12)Polar Surface Area: 84.86 Å2; (13)Index of Refraction: 1.599; (14)Molar Refractivity: 128.94 cm3; (15)Molar Volume: 376.9 cm3; (16)Polarizability: 51.11×10-24cm3; (17)Surface Tension: 50.5 dyne/cm; (18)Density: 1.218 g/cm3; (19)Flash Point: 351.9 °C; (20)Enthalpy of Vaporization: 101.8 kJ/mol; (21)Boiling Point: 658.2 °C at 760 mmHg; (22)Vapour Pressure: 3.2E-18 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CC(C)(C)Oc1ccc(cc1)C[C@@H](NC(=O)OCC4c2ccccc2c3ccccc34)C(O)=O
(2)InChI: InChI=1/C28H29NO5/c1-28(2,3)34-19-14-12-18(13-15-19)16-25(26(30)31)29-27(32)33-17-24-22-10-6-4-8-20(22)21-9-5-7-11-23(21)24/h4-15,24-25H,16-17H2,1-3H3,(H,29,32)(H,30,31)/t25-/m1/s1
(3)InChIKey: JAUKCFULLJFBFN-RUZDIDTEBM
(4)Std. InChI: InChI=1S/C28H29NO5/c1-28(2,3)34-19-14-12-18(13-15-19)16-25(26(30)31)29-27(32)33-17-24-22-10-6-4-8-20(22)21-9-5-7-11-23(21)24/h4-15,24-25H,16-17H2,1-3H3,(H,29,32)(H,30,31)/t25-/m1/s1
(5)Std. InChIKey: JAUKCFULLJFBFN-RUZDIDTESA-N

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