CAS No.73872-71-6,BOC-D-GLU-OTBU Suppliers

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Basic Information

Molecular Structure:
CAS No.:	73872-71-6
Name:	BOC-D-GLU-OTBU

Formula:	C₁₄H₂₅NO₆
Molecular Weight:	303.356
Synonyms:	N-[(1,1-Dimethylethoxy)carbonyl]-D-glutamic acid 1-(tert-butyl) ester;
Density:	1.121 g/cm³
Boiling Point:	449.751 °C at 760 mmHg
Flash Point:	225.801 °C
PSA:	101.93000
LogP:	2.47710

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Specification

The N-Boc-D-glutamic acid 1-(tert-butyl) ester, with the CAS registry number 73872-71-6, is also known as N-[(1,1-Dimethylethoxy)carbonyl]-D-glutamic acid 1-(tert-butyl) ester. This chemical's molecular formula is C₁₄H₂₅NO₆ and molecular weight is 303.35. What's more, its systematic name is (4R)-5-[(2-Methyl-2-propanyl)oxy]-4-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-5-oxopentanoic acid.

Physical properties of N-Boc-D-glutamic acid 1-(tert-butyl) ester are: (1)ACD/LogP: 2.815; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.71; (4)ACD/LogD (pH 7.4): -0.09; (5)ACD/BCF (pH 5.5): 6.35; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 63.30; (8)ACD/KOC (pH 7.4): 1.01; (9)#H bond acceptors: 7; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 9; (12)Polar Surface Area: 101.93 Å²; (13)Index of Refraction: 1.47; (14)Molar Refractivity: 75.508 cm³; (15)Molar Volume: 270.509 cm³; (16)Polarizability: 29.934×10^-24cm³; (17)Surface Tension: 38.98 dyne/cm; (18)Density: 1.121 g/cm³; (19)Flash Point: 225.801 °C; (20)Enthalpy of Vaporization: 77.659 kJ/mol; (21)Boiling Point: 449.751 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC(C)(C)C)N[C@@H](C(=O)OC(C)(C)C)CCC(=O)O
(2)Std. InChI: InChI=1S/C14H25NO6/c1-13(2,3)20-11(18)9(7-8-10(16)17)15-12(19)21-14(4,5)6/h9H,7-8H2,1-6H3,(H,15,19)(H,16,17)/t9-/m1/s1
(3)Std. InChIKey: YMOYURYWGUWMFM-SECBINFHSA-N