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140128-20-7

Basic Information
CAS No.: 140128-20-7
Name: (Z)-2-(2-Boc-aminothiazole-4-yl-)-2-trityloxyiminoacetic acid
Article Data: 1
Molecular Structure:
Molecular Structure of 140128-20-7 ((Z)-2-(2-Boc-aminothiazole-4-yl-)-2-trityloxyiminoacetic acid)
Formula: C29H27N3O5S
Molecular Weight: 529.616
Synonyms: 4-Thiazoleaceticacid, 2-[[(1,1-dimethylethoxy)carbonyl]amino]-a-[(triphenylmethoxy)imino]-, (Z)-;4-thiazoleacetic acid, 2-[[(1,1-dimethylethoxy)carbonyl]amino]-alpha-[(triphenylmethoxy)imino]-, (alphaZ)-;
Density: 1.242 g/cm3
PSA: 138.35000
LogP: 6.36050
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Chemistry

Molecular Structure of (Z)-2-(2-Boc-aminothiazole-4-yl-)-2-trityloxyiminoacetic acid (CAS NO.140128-20-7):

IUPAC Name: 1-N,3-N-bis(2,3-dihydroxypropyl)-5-[(2-hydroxyacetyl)-(2-hydroxyethyl)amino]-2,4,6-triiodobenzene-1,3-dicarboxamide 
Empirical Formula: C29H27N3O5S
Molecular Weight: 529.6068
H bond acceptors: 8
H bond donors: 2
Freely Rotating Bonds: 9
Polar Surface Area: 138.35Å2
Index of Refraction: 1.615
Molar Refractivity: 148.824 cm3
Molar Volume: 426.287 cm3
Surface Tension: 48.715 dyne/cm
Density: 1.242 g/cm3
SMILES: O=C(O)C(=N\OC(c1ccccc1)(c2ccccc2)c3ccccc3)/c4nc(sc4)NC(=O)OC(C)(C)C
InChI: InChI=1/C29H27N3O5S/c1-28(2,3)36-27(35)31-26-30-23(19-38-26)24(25(33)34)32-37-29(20-13-7-4-8-14-20,21-15-9-5-10-16-21)22-17-11-6-12-18-22/h4-19H,1-3H3,(H,33,34)(H,30,31,35)/b32-24-

Specification

  (Z)-2-(2-Boc-aminothiazole-4-yl-)-2-trityloxyiminoacetic acid , with CAS number of 140128-20-7, can be called (2Z)-{2-[(tert-Butoxycarbonyl)amino]-1,3-thiazol-4-yl}[(trityloxy)imino]acetic acid ; (2Z)-{2-[(tert-butoxycarbonyl)amino]-1,3-thiazol-4-yl}[(trityloxy)imino]ethanoic acid ; 4-thiazoleacetic acid, 2-[[(1,1-dimethylethoxy)carbonyl]amino]-alpha-[(triphenylmethoxy)imino]-, (alphaZ)- .