CAS No.204692-75-1,BOC-3,5-DIBROMO-D-TYR-OH Suppliers

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Basic Information

Molecular Structure:
CAS No.:	204692-75-1
Name:	BOC-3,5-DIBROMO-D-TYR-OH

Formula:	C₁₄H₁₇Br₂NO₅
Molecular Weight:	436.94
Synonyms:	BOC-D-TYR(3,5-BR2)-OH;BOC-3,5-DIBROMO-D-TYR-OH;BOC-3,5-DIBROMO-D-TYROSINE;N-ALPHA-T-BUTOXYCARBONYL-3,5-DIBROMO-D-TYROSINE;(R)-2-(tert-butoxycarbonylamino)-3-(3,5-dibromo-4-hydroxyphenyl)propanoic acid;Boc-D-Tyr(3,5-Br2)-OH] Boc-3,5-DibroMo-D-tyrosine;3,5-Dibromo-N-[(1,1-dimethylethoxy)carbonyl]-D-tyrosine
Density:	1.692 g/cm³
Boiling Point:	516.118 °C at 760 mmHg
Flash Point:	265.939 °C
PSA:	95.86000
LogP:	3.82850

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Specification

The D-Tyrosine,3,5-dibromo-N-[(1,1-dimethylethoxy)carbonyl]-, with CAS registry number 204692-75-1, has the systematic name of (2R)-2-(tert-butoxycarbonylamino)-3-(3,5-dibromo-4-hydroxy-phenyl)propanoic acid. Besides this, it is also called Boc-d-tyr(3,5-br2)-oh. This chemical should be stored at the temperature of -15°C.

Physical properties of D-Tyrosine,3,5-dibromo-N-[(1,1-dimethylethoxy)carbonyl]-: (1)ACD/LogP: 2.61; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1.415; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 6; (8)#H bond donors: 3; (9)#Freely Rotating Bonds: 7; (10)Polar Surface Area: 95.86 Å²; (11)Index of Refraction: 1.591; (12)Molar Refractivity: 87.72 cm³; (13)Molar Volume: 259.439 cm³; (14)Polarizability: 34.775×10^-24cm³; (15)Surface Tension: 54.696 dyne/cm; (16)Enthalpy of Vaporization: 82.977 kJ/mol; (17)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CC(C)(C)OC(=O)N[C@H](Cc1cc(c(c(c1)Br)O)Br)C(=O)O
(2)InChI: InChI=1/C14H17Br2NO5/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: FIKNCGRWSBGBKP-SNVBAGLBBD
(4)Std. InChI: InChI=1S/C14H17Br2NO5/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
(5)Std. InChIKey: FIKNCGRWSBGBKP-SNVBAGLBSA-N