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CAS No.: | 35677-88-4 |
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Name: | N-Carbobenzoxy-L-homoserine |
Article Data: | 23 |
Molecular Structure: | |
Formula: | C12H15NO5 |
Molecular Weight: | 253.255 |
Synonyms: | Butyricacid, 2-carboxyamino-4-hydroxy-, N-benzyl ester (6CI);Cbz-hse-oh;N-(Benzyloxycarbonyl)-L-homoserine; |
Density: | 1.312 g/cm3 |
Melting Point: | 100-101 °C |
Boiling Point: | 519.917 °C at 760 mmHg |
Flash Point: | 268.236 °C |
PSA: | 95.86000 |
LogP: | 1.13930 |
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The N-Carbobenzoxy-L-homoserine, with the CAS registry number 35677-88-4, is also known as Cbz-hse-OH. It belongs to the product categories of Amino Acids & Derivatives; Aromatics. This chemical's molecular formula is C12H15NO5 and molecular weight is 253.25. What's more, its IUPAC name is called (2S)-4-Hydroxy-2-(phenylmethoxycarbonylamino)butanoic acid.
Physical properties about N-Carbobenzoxy-L-homoserine are: (1)ACD/LogP: 1.305; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.83; (4)ACD/LogD (pH 7.4): -2.27; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.00; (8)ACD/KOC (pH 7.4): 1.00; (9)#H bond acceptors: 6; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 95.86 Å2; (13)Index of Refraction: 1.564; (14)Molar Refractivity: 62.761 cm3; (15)Molar Volume: 193.084 cm3; (16)Polarizability: 24.881×10-24cm3; (17)Surface Tension: 57.462 dyne/cm; (18)Density: 1.312 g/cm3; (19)Flash Point: 268.236 °C; (20)Enthalpy of Vaporization: 83.462 kJ/mol; (21)Boiling Point: 519.917 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)[C@@H](NC(=O)OCc1ccccc1)CCO
(2) InChI: InChI=1S/C12H15NO5/c14-7-6-10(11(15)16)13-12(17)18-8-9-4-2-1-3-5-9/h1-5,10,14H,6-8H2,(H,13,17)(H,15,16)/t10-/m0/s1
(3) InChIKey: UBXPAGGJJMSWLC-JTQLQIEISA-N