CAS No.113484-74-5,FMOC-GLY-OSU Suppliers

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Basic Information

Molecular Structure:
CAS No.:	113484-74-5
Name:	FMOC-GLY-OSU
Article Data:	7

Formula:	C₂₁H₁₈N₂O₆
Molecular Weight:	394.384
Synonyms:	Carbamicacid, [2-[(2,5-dioxo-1-pyrrolidinyl)oxy]-2-oxoethyl]-, 9H-fluoren-9-ylmethylester (9CI);Fmoc-Gly-OSu;N-FluorenylmethyloxycarbonylglycineN-hydroxysuccinimide ester;
EINECS:	1533716-785-6
Density:	1.44 g/cm³
Melting Point:	173-175 °C(Solv: ethanol (64-17-5); hexane (110-54-3))
PSA:	102.01000
LogP:	2.46110

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Specification

The Glycine,N-[(9H-fluoren-9-ylmethoxy)carbonyl]-, 2,5-dioxo-1-pyrrolidinyl ester, with its CAS registry number 113484-74-5, has the systematic name of 2,5-dioxopyrrolidin-1-yl N-[(9H-fluoren-9-ylmethoxy)carbonyl]glycinate. And it has the molecular formula of C₂₁H₁₈N₂O₆ and the molecular weight of 394.38. Besides, it belongs to the product categories which include Amino Acid Derivatives; Amino Acids.

The characteristics of Glycine,N-[(9H-fluoren-9-ylmethoxy)carbonyl]-, 2,5-dioxo-1-pyrrolidinyl ester are as follows: (1)ACD/LogP: 1.68;(2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.67; (4)ACD/LogD (pH 7.4): 1.67; (5)ACD/BCF (pH 5.5): 11.04; (6)ACD/BCF (pH 7.4): 11; (7)ACD/KOC (pH 7.4): 193.53; (8)#H bond acceptors: 8; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 7; (11)Polar Surface Area: 93.22 Å²; (12)Index of Refraction: 1.657; (13)Molar Refractivity: 100.5 cm³; (14)Molar Volume: 273.1 cm³; (15)Polarizability: 39.84×10^-24cm³; (16)Surface Tension: 69.7 dyne/cm; (17)Density: 1.44 g/cm³.

The production method of this chemical is as below: N-hydroxy-succinimide could react with FMOC-glycine to produce Glycine,N-[(9H-fluoren-9-ylmethoxy)carbonyl]-, 2,5-dioxo-1-pyrrolidinyl ester. This reaction could happen in the reagent of dicyclohexylcarbodiimide and the solvent of tetrahydrofuran at 0 °C for 20 hours.

What's more, the following datas could be converted into the molecular structure:
(1)SMILES:O=C4N(OC(=O)CNC(=O)OCC3c1ccccc1c2ccccc23)C(=O)CC4
(2)InChI:InChI=1/C21H18N2O6/c24-18-9-10-19(25)23(18)29-20(26)11-22-21(27)28-12-17-15-7-3-1-5-13(15)14-6-2-4-8-16(14)17/h1-8,17H,9-12H2,(H,22,27)
(3)InChIKey:XZJJWLWTGNBBFM-UHFFFAOYAF
(4)Std. InChI:InChI=1S/C21H18N2O6/c24-18-9-10-19(25)23(18)29-20(26)11-22-21(27)28-12-17-15-7-3-1-5-13(15)14-6-2-4-8-16(14)17/h1-8,17H,9-12H2,(H,22,27)
(5)Std. InChIKey:XZJJWLWTGNBBFM-UHFFFAOYSA-N