Basic Information | Post buying leads | Suppliers |
Name |
O-Allyl-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-tyrosine |
EINECS | N/A |
CAS No. | 146982-30-1 | Density | 1.247 g/cm3 |
PSA | 84.86000 | LogP | 5.17670 |
Solubility | N/A | Melting Point |
140-142 °C |
Formula | C27H25NO5 | Boiling Point | 668.657 °C at 760 mmHg |
Molecular Weight | 443.49 | Flash Point | 358.191 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
L-Tyrosine,N-[(9H-fluoren-9-ylmethoxy)carbonyl]-O-2-propenyl- (9CI);Fmoc-L-Tyr(all)-OH;Fmoc-O-allyl-L-tyrosine; |
The systematic name of Fmoc-L-Tyr(all)-OH is N-[(9H-fluoren-9-ylmethoxy)carbonyl]-O-prop-2-en-1-yl-L-tyrosine. With the CAS registry number 146982-30-1, it is also named as Fmoc-O-allyl-L-tyrosine. The product should be stored at 2-8 °C. In addition, its molecular formula is C27H25NO5 and its molecular weight is 443.49.
The other characteristics of Fmoc-L-Tyr(all)-OH can be summarized as: (1)ACD/LogP: 6.13; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 4.03; (4)ACD/LogD (pH 7.4): 2.57; (5)ACD/BCF (pH 5.5): 214.42; (6)ACD/BCF (pH 7.4): 7.4; (7)ACD/KOC (pH 5.5): 412.06; (8)ACD/KOC (pH 7.4): 14.23; (9)#H bond acceptors: 6; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 10; (12)Polar Surface Area: 65.07 Å2; (13)Index of Refraction: 1.614; (14)Molar Refractivity: 124.07 cm3; (15)Molar Volume: 355.5 cm3; (16)Polarizability: 49.18×10-24cm3; (17)Surface Tension: 53 dyne/cm; (18)Density: 1.247 g/cm3; (19)Flash Point: 358.2 °C; (20)Enthalpy of Vaporization: 103.24 kJ/mol; (21)Boiling Point: 668.7 °C at 760 mmHg; (22)Vapour Pressure: 8.62E-19 mmHg at 25 °C.
People can use the following data to convert to the molecule structure.
(1)SMILES: O=C(O)[C@@H](NC(=O)OCC3c1ccccc1c2c3cccc2)Cc4ccc(OC\C=C)cc4
(2)InChI: InChI=1/C27H25NO5/c1-2-15-32-19-13-11-18(12-14-19)16-25(26(29)30)28-27(31)33-17-24-22-9-5-3-7-20(22)21-8-4-6-10-23(21)24/h2-14,24-25H,1,15-17H2,(H,28,31)(H,29,30)/t25-/m0/s1
(3)InChIKey: AQUXDQFCBLRIRE-VWLOTQADBH
(4)Std. InChI: InChI=1S/C27H25NO5/c1-2-15-32-19-13-11-18(12-14-19)16-25(26(29)30)28-27(31)33-17-24-22-9-5-3-7-20(22)21-8-4-6-10-23(21)24/h2-14,24-25H,1,15-17H2,(H,28,31)(H,29,30)/t25-/m0/s1
(5)Std. InChIKey: AQUXDQFCBLRIRE-VWLOTQADSA-N