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CAS No.: | 133054-21-4 |
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Name: | FMOC-D-THZ-OH |
Molecular Structure: | |
Formula: | C19H17NO4S |
Molecular Weight: | 355.414 |
Synonyms: | 3,4-Thiazolidinedicarboxylicacid, 3-(9H-fluoren-9-ylmethyl) ester, (R)-;Fmoc-L-thiazolidine-4-carboxylic acid; |
Density: | 1.402 g/cm3 |
Melting Point: | 153-158 °C |
Boiling Point: | 591.614 °C at 760 mmHg |
Flash Point: | 311.597 °C |
Hazard Symbols: | Xn |
Risk Codes: | 22-36/37/38 |
Safety: | 26-36 |
PSA: | 92.14000 |
LogP: | 3.33290 |
The IUPAC name of Fmoc-L-thiazolidine-4-carboxylic acid is (4R)-3-(9H-fluoren-9-ylmethoxycarbonyl)-1,3-thiazolidine-4-carboxylic acid. With the CAS registry number 133054-21-4, it is also named as Fmoc-Thi-OH. The product's category is Amino Acids. In addition, its molecular formula is C19H17NO4S and its molecular weight is 355.41. This chemical should be stored at 2-8 °C.
The other characteristics of Fmoc-L-thiazolidine-4-carboxylic acid can be summarized as: (1)ACD/LogP: 3.18; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.16; (4)ACD/LogD (pH 7.4): -0.35; (5)ACD/BCF (pH 5.5): 1.46; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 12.13; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 81.14 Å2; (13)Index of Refraction: 1.667; (14)Molar Refractivity: 94.42 cm3; (15)Molar Volume: 253.4 cm3; (16)Polarizability: 37.43×10-24cm3; (17)Surface Tension: 64.2 dyne/cm; (18)Density: 1.402 g/cm3; (19)Flash Point: 311.6 °C; (20)Melting Point: 153-158 °C; (21)Enthalpy of Vaporization: 92.81 kJ/mol; (22)Boiling Point: 591.6 °C at 760 mmHg; (23)Vapour Pressure: 7.66E-15 mmHg at 25 °C.
When you are using this chemical, please be cautious about it as the following: it is harmful if swallowed. And it is also irritating to eyes, respiratory system and skin. You should wear suitable protective clothing when use it. Moreover, in case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
People can use the following data to convert to the molecule structure.
(1)SMILES: O=C(O)[C@H]4N(C(=O)OCC3c1ccccc1c2ccccc23)CSC4
(2)InChI: InChI=1/C19H17NO4S/c21-18(22)17-10-25-11-20(17)19(23)24-9-16-14-7-3-1-5-12(14)13-6-2-4-8-15(13)16/h1-8,16-17H,9-11H2,(H,21,22)/t17-/m0/s1
(3)InChIKey: HUWNZLPLVVGCMO-KRWDZBQOBY
(4)Std. InChI: InChI=1S/C19H17NO4S/c21-18(22)17-10-25-11-20(17)19(23)24-9-16-14-7-3-1-5-12(14)13-6-2-4-8-15(13)16/h1-8,16-17H,9-11H2,(H,21,22)/t17-/m0/s1
(5)Std. InChIKey: HUWNZLPLVVGCMO-KRWDZBQOSA-N