CAS No.136554-94-4,FMOC-D-TRP-OPFP Suppliers

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Basic Information

Molecular Structure:
CAS No.:	136554-94-4
Name:	FMOC-D-TRP-OPFP
Article Data:	3

Formula:	C₃₂H₂₁F₅N₂O₄
Molecular Weight:	592.522
Synonyms:	D-Tryptophan,N-[(9H-fluoren-9-ylmethoxy)carbonyl]-, pentafluorophenyl ester (9CI);fmoc-d-trp-opfp;
Density:	1.453 g/cm³
Boiling Point:	755.176 °C at 760 mmHg
Flash Point:	410.516 °C
PSA:	80.42000
LogP:	7.30970

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Specification

The Fmoc-D-Trp-OPfp, with CAS registry number 136554-94-4, belongs to the following product categories: (1)Fmoc-Amino Acids and Derivatives; (2)Fmoc-Amino acid series. It has the systematic name of (2,3,4,5,6-pentafluorophenyl) (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(1H-indol-3-yl)propanoate. This chemical should be stored at the temperature of -15°C. And the chemical formula of this chemical is C₃₂H₂₁F₅N₂O₄.

Physical properties of Fmoc-D-Trp-OPfp: (1)ACD/LogP: 6.72; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 6.718; (4)ACD/LogD (pH 7.4): 6.717; (5)ACD/BCF (pH 5.5): 75071.969; (6)ACD/BCF (pH 7.4): 74968.266; (7)ACD/KOC (pH 5.5): 107509.047; (8)ACD/KOC (pH 7.4): 107360.539; (9)#H bond acceptors: 6; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 9; (12)Polar Surface Area: 80.42 Å²; (13)Index of Refraction: 1.631; (14)Molar Refractivity: 145.361 cm³; (15)Molar Volume: 407.801 cm³; (16)Polarizability: 57.625×10^-24cm³; (17)Surface Tension: 54.612 dyne/cm; (18)Density: 1.453 g/cm³; (19)Flash Point: 410.516 °C; (20)Enthalpy of Vaporization: 110.032 kJ/mol; (21)Boiling Point: 755.176 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: c1ccc2c(c1)c(c[nH]2)C[C@H](C(=O)Oc3c(c(c(c(c3F)F)F)F)F)NC(=O)OCC4c5ccccc5-c6c4cccc6
(2)InChI: InChI=1/C32H21F5N2O4/c33-25-26(34)28(36)30(29(37)27(25)35)43-31(40)24(13-16-14-38-23-12-6-5-7-17(16)23)39-32(41)42-15-22-20-10-3-1-8-18(20)19-9-2-4-11-21(19)22/h1-12,14,22,24,38H,13,15H2,(H,39,41)/t24-/m1/s1
(3)InChIKey: KLPGTAYCHANVFY-XMMPIXPABV
(4)Std. InChI: InChI=1S/C32H21F5N2O4/c33-25-26(34)28(36)30(29(37)27(25)35)43-31(40)24(13-16-14-38-23-12-6-5-7-17(16)23)39-32(41)42-15-22-20-10-3-1-8-18(20)19-9-2-4-11-21(19)22/h1-12,14,22,24,38H,13,15H2,(H,39,41)/t24-/m1/s1
(5)Std. InChIKey: KLPGTAYCHANVFY-XMMPIXPASA-N