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CAS No.: | 69863-36-1 |
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Name: | Z-THR(BZL)-OH |
Molecular Structure: | |
Formula: | C19H21NO5 |
Molecular Weight: | 343.379 |
Synonyms: | N-alpha-Carbobenzoxy-D-threonine benzyl ether dicyclohexylammonium salt;3-(Benzyloxy)-2-{[(benzyloxy)carbonyl]amino}butanoic acid;N-Cbz-O-Benzyl-L-threonine;N-[(Benzyloxy)carbonyl]-O-benzyl-L-threonine;Z-Thr(Bzl)-OH; |
Density: | 1.228 g/cm3 |
Melting Point: | 77-80 °C |
Boiling Point: | 539.3 °C at 760 mmHg |
Flash Point: | 280 °C |
PSA: | 84.86000 |
LogP: | 3.36220 |
The systematic name of L-Threonine,N-[(phenylmethoxy)carbonyl]-O-(phenylmethyl)- is O-benzyl-N-[(benzyloxy)carbonyl]-L-threonine. With the CAS registry number 69863-36-1, it is also named as Z-Thr(Bzl)-OH. The product's category is Amino Acid Derivatives. Besides, it should be stored at room temperature. In addition, its molecular formula is C19H21NO5 and molecular weight is 343.38.
The other characteristics of L-Threonine,N-[(phenylmethoxy)carbonyl]-O-(phenylmethyl)- can be summarized as: (1)ACD/LogP: 4.52; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.13; (4)ACD/LogD (pH 7.4): 0.88; (5)ACD/BCF (pH 5.5): 6.46; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 27.58; (8)ACD/KOC (pH 7.4): 1.55; (9)#H bond acceptors: 6; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 9; (12)Polar Surface Area: 65.07 Å2; (13)Index of Refraction: 1.572; (14)Molar Refractivity: 92.05 cm3; (15)Molar Volume: 279.5 cm3; (16)Polarizability: 36.49×10-24cm3; (17)Surface Tension: 50.1 dyne/cm; (18)Density: 1.228 g/cm3; (19)Flash Point: 280 °C; (20)Melting Point: 77-80 °C; (21)Enthalpy of Vaporization: 85.95 kJ/mol; (22)Boiling Point: 539.3 °C at 760 mmHg; (23)Vapour Pressure: 1.84E-12 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)OCc1ccccc1)[C@H](OCc2ccccc2)C
(2)InChI: InChI=1/C19H21NO5/c1-14(24-12-15-8-4-2-5-9-15)17(18(21)22)20-19(23)25-13-16-10-6-3-7-11-16/h2-11,14,17H,12-13H2,1H3,(H,20,23)(H,21,22)/t14-,17+/m1/s1
(3)InChIKey: FVKJXAYBJIAXAU-PBHICJAKBJ
(4)Std. InChI: InChI=1S/C19H21NO5/c1-14(24-12-15-8-4-2-5-9-15)17(18(21)22)20-19(23)25-13-16-10-6-3-7-11-16/h2-11,14,17H,12-13H2,1H3,(H,20,23)(H,21,22)/t14-,17+/m1/s1
(5)Std. InChIKey: FVKJXAYBJIAXAU-PBHICJAKSA-N