Boc-3,5-Diiodo-D-tyrosine supplier

Name
BOC-3,5-DIIODO-D-TYROSINE
EINECS
CAS No. 214630-08-7
Article Data7
CAS DataBase
Density 1.965 g/cm³
Solubility
Melting Point
Formula C₁₄H₁₇I₂NO₅
Boiling Point 513.3 °C at 760 mmHg
Molecular Weight 533.102
Flash Point 264.2 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms N-(tert-butoxycarbonyl)-3,5-diiodo-D-tyrosine;D-tyrosine, N-[(1,1-dimethylethoxy)carbonyl]-3,5-diiodo-;(R)-2-tert-Butoxycarbonylamino-3-(4-hydroxy-3,5-diiodo-phenyl)-propionic acid;2-tert-Butoxycarbonylamino-3-(4-hydroxy-3,5-diiodo-phenyl)-propionic acid;Boc-3,5-Diiodo-D-tyrosine;
PSA 95.86000
LogP 3.51270

Boc-3,5-Diiodo-D-tyrosine Specification

The Boc-3,5-Diiodo-D-tyrosine, with the CAS registry number 214630-08-7, has the systematic name of N-(tert-butoxycarbonyl)-3,5-diiodo-D-tyrosine. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C₁₄H₁₇I₂NO₅.

The characteristics of Boc-3,5-Diiodo-D-tyrosine are as followings: (1)ACD/LogP: 4.11; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 1.93; (4)ACD/LogD (pH 7.4): 0.13; (5)ACD/BCF (pH 5.5): 5.21; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 27.34; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 6; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 65.07 Å²; (13)Index of Refraction: 1.643; (14)Molar Refractivity: 98.15 cm³; (15)Molar Volume: 271.2 cm³; (16)Polarizability: 38.91×10^-24cm³; (17)Surface Tension: 60.2 dyne/cm; (18)Density: 1.965 g/cm³; (19)Flash Point: 264.2 °C; (20)Enthalpy of Vaporization: 82.62 kJ/mol; (21)Boiling Point: 513.3 °C at 760 mmHg; (22)Vapour Pressure: 2.32E-11 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Ic1cc(cc(I)c1O)C[C@H](C(=O)O)NC(=O)OC(C)(C)C
(2)InChI: InChI=1/C14H17I2NO5/c1-14(2,3)22-13(21)17-10(12(19)20)6-7-4-8(15)11(18)9(16)5-7/h4-5,10,18H,6H2,1-3H3,(H,17,21)(H,19,20)/t10-/m1/s1
(3)InChIKey: CTUIJSMDTYBOLW-SNVBAGLBBH

Product Name

BOC-3,5-DIIODO-D-TYROSINE

Boc-3,5-Diiodo-D-tyrosine Specification

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