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Fmoc-L-Glutamic acid-O-tert-butyl ester hydrate

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Name

Fmoc-L-Glutamic acid-O-tert-butyl ester hydrate

EINECS
CAS No. 204251-24-1 Density
PSA 111.16000 LogP 4.42680
Solubility Melting Point 86-89 °C(lit.)
Formula C24H29NO7 Boiling Point 633.5 °C at 760 mmHg
Molecular Weight 443.49 Flash Point 336.9 °C
Transport Information Appearance white fine powder
Safety 24/25-22 Risk Codes
Molecular Structure Molecular Structure of 204251-24-1 (L-Glutamic acid,N-[(9H-fluoren-9-ylmethoxy)carbonyl]-, 5-(1,1-dimethylethyl) ester, hydrate(1:1)) Hazard Symbols
Synonyms

L-Glutamicacid, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-, 5-(1,1-dimethylethyl) ester,monohydrate (9CI);N-Fmoc-L-glutamic acid gamma-tert-butyl ester monohydrate;

 

Fmoc-L-Glutamic acid-O-tert-butyl ester hydrate Specification

The L-Glutamic acid,N-[(9H-fluoren-9-ylmethoxy)carbonyl]-, 5-(1,1-dimethylethyl) ester, hydrate(1:1), with the CAS registry number 204251-24-1, is also known as N-Fmoc-L-glutamic acid gamma-tert-butyl ester monohydrate and N-(9-Fluorenylmethoxycarbonyl)-L-glutamic acid-O-tert-butyl ester monohydrate. This chemical's molecular formula is C24H29NO7 and molecular weight is 443.4896. What's more, its IUPAC name is (2S)-2-(9H-Fluoren-9-ylmethoxycarbonylamino)-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoate and systematic name is called (2S)-5-tert-Butoxy-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-5-oxopentanoic acid hydrate. This chemical is white fine powder.

Physical properties about L-Glutamic acid,N-[(9H-fluoren-9-ylmethoxy)carbonyl]-, 5-(1,1-dimethylethyl) ester, hydrate(1:1) are: (1) ACD/LogP: 5.26; (2) # of Rule of 5 Violations: 1; (3) ACD/LogD (pH 5.5): 3.06; (4) ACD/LogD (pH 7.4): 1.67; (5) ACD/BCF (pH 5.5): 36.93; (6) ACD/BCF (pH 7.4): 1.49; (7) ACD/KOC (pH 5.5): 109.32; (8) ACD/KOC (pH 7.4): 4.42; (9) #H bond acceptors: 7; (10) #H bond donors: 2; (11) #Freely Rotating Bonds: 10; (12) Polar Surface Area: 82.14 Å2; (13) Flash Point: 336.9 °C; (14) Enthalpy of Vaporization: 98.43 kJ/mol; (15) Boiling Point: 633.5 °C at 760 mmHg; (16) Vapour Pressure: 6.39E-17 mmHg at 25 °C; (17) Melting Point: 89-93 °C.

When you are dealing with this chemical, you should be very careful. The gas of this chemical can not be breathed. In addition, you should avoid contacting with skin and eyes.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OC(C)(C)C)CC[C@@H](C(=O)O)NC(=O)OCC3c1ccccc1c2c3cccc2.O
(2) InChI: InChI=1/C24H27NO6.H2O/c1-24(2,3)31-21(26)13-12-20(22(27)28)25-23(29)30-14-19-17-10-6-4-8-15(17)16-9-5-7-11-18(16)19;/h4-11,19-20H,12-14H2,1-3H3,(H,25,29)(H,27,28);1H2/t20-;/m0./s1
(3) InChIKey: NMBGBVUJSPZRDD-BDQAORGHBS

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