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CAS No.: | 35979-00-1 |
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Name: | H-HIS-TYR-OH |
Molecular Structure: | |
Formula: | C15H18N4O4 |
Molecular Weight: | 318.332 |
Synonyms: | L-Tyrosine,N-L-histidyl-;Tyrosine, N-L-histidyl- (7CI);33: PN: WO2009143133 PAGE: 61claimed protein;43: PN: US20090104234 SEQID: 43 unclaimed protein;Histidyltyrosine;L-Histidyl-L-tyrosine;NSC 374121; |
Density: | 1.421g/cm3 |
Boiling Point: | 763.4 °C at 760 mmHg |
Flash Point: | 415.5 °C |
PSA: | 141.33000 |
LogP: | 0.88840 |
The L-Tyrosine, L-histidyl-, with CAS registry number 35979-00-1, has the systematic name of histidyltyrosine. Besides this, it is also called H-HIS-TYR-OH. This chemical should be stored at the temperature of -15°C. And the chemical formula of this chemical is C15H18N4O4.
Physical properties of L-Tyrosine, L-histidyl-: (1)ACD/LogP: -0.64; (2)# of Rule of 5 Violations: 1; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 8; (8)#H bond donors: 6; (9)#Freely Rotating Bonds: 9; (10)Polar Surface Area: 76.9 Å2; (11)Index of Refraction: 1.651; (12)Molar Refractivity: 81.86 cm3; (13)Molar Volume: 223.9 cm3; (14)Polarizability: 32.45×10-24cm3; (15)Surface Tension: 76.6 dyne/cm; (16)Density: 1.421 g/cm3; (17)Flash Point: 415.5 °C; (18)Enthalpy of Vaporization: 116.64 kJ/mol; (19)Boiling Point: 763.4 °C at 760 mmHg; (20)Vapour Pressure: 1.68E-24 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)C(NC(=O)C(N)Cc1cncn1)Cc2ccc(O)cc2
(2)InChI: InChI=1/C15H18N4O4/c16-12(6-10-7-17-8-18-10)14(21)19-13(15(22)23)5-9-1-3-11(20)4-2-9/h1-4,7-8,12-13,20H,5-6,16H2,(H,17,18)(H,19,21)(H,22,23)
(3)InChIKey: HTOOKGDPMXSJSY-UHFFFAOYAL
(4)Std. InChI: InChI=1S/C15H18N4O4/c16-12(6-10-7-17-8-18-10)14(21)19-13(15(22)23)5-9-1-3-11(20)4-2-9/h1-4,7-8,12-13,20H,5-6,16H2,(H,17,18)(H,19,21)(H,22,23)
(5)Std. InChIKey: HTOOKGDPMXSJSY-UHFFFAOYSA-N