CAS No.204251-24-1,FMOC-GLU(OTBU)-OH H2O Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	204251-24-1
Name:	FMOC-GLU(OTBU)-OH H2O

Formula:	C₂₄H₂₉NO₇
Molecular Weight:	443.49
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;
Melting Point:	86-89 °C(lit.)
Boiling Point:	633.5 °C at 760 mmHg
Flash Point:	336.9 °C
Appearance:	white fine powder
Safety:	24/25-22
PSA:	111.16000
LogP:	4.42680

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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