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FMOC-ASN-OPFP

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Name

FMOC-ASN-OPFP

EINECS N/A
CAS No. 86060-99-3 Density 1.478 g/cm3
PSA 107.72000 LogP 5.16140
Solubility N/A Melting Point ~160℃
Formula C25H17F5N2O5 Boiling Point 702.4 °C at 760 mmHg
Molecular Weight 520.412 Flash Point 378.6 °C
Transport Information N/A Appearance white powder
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 86060-99-3 (FMOC-ASN-OPFP) Hazard Symbols N/A
Synonyms

Fmoc-Asn-OPfp;L-Asparagine,N2-[(9H-fluoren-9-ylmethoxy)carbonyl]-, pentafluorophenyl ester (9CI);

 

FMOC-ASN-OPFP Specification

The FMOC-ASN-OPFP, with the CAS registry number 86060-99-3, is also known as Fmoc-Asn-OPfp. It belongs to the product categories of Acids; Fmoc-Amino Acids and Derivatives; Fmoc-Amino Acid Series. This chemical's molecular formula is C25H17F5N2O5 and molecular weight is 520.4. What's more, its systematic name is called Pentafluorophenyl N~2~-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-asparaginate. It is white powder.

Physical properties about FMOC-ASN-OPFP are: (1)ACD/LogP: 5.45; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 5.45; (4)ACD/LogD (pH 7.4): 5.44; (5)ACD/BCF (pH 5.5): 8108.98; (6)ACD/BCF (pH 7.4): 8079.76; (7)ACD/KOC (pH 5.5): 21858.63; (8)ACD/KOC (pH 7.4): 21779.86; (9)#H bond acceptors: 7; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 9; (12) Polar Surface Area: 76.15 Å2; (13)Index of Refraction: 1.577; (14)Molar Refractivity: 116.79 cm3; (15)Molar Volume: 351.9 cm3; (16)Polarizability: 46.3× 10-24cm3 ; (17)Surface Tension: 52.3 dyne/cm; (18) Density: 1.478 g/cm3; (19)Flash Point: 378.6 °C; (20)Enthalpy of Vaporization: 102.8 kJ/mol; (21)Boiling Point: 702.4 °C at 760 mmHg; (22)Vapour Pressure: 1.41E-19 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Fc4c(F)c(F)c(F)c(F)c4OC(=O)[C@@H](NC(=O)OCC3c1ccccc1c2c3cccc2)CC(=O)N
(2) InChI: InChI=1/C25H17F5N2O5/c26-18-19(27)21(29)23(22(30)20(18)28)37-24(34)16(9-17(31)33)32-25(35)36-10-15-13-7-3-1-5-11(13)12-6-2-4-8-14(12)15/h1-8,15-16H,9-10H2,(H2,31,33)(H,32,35)/t16-/m0/s1
(3) InChIKey: FESVUEALWMQZEP-INIZCTEOBA

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