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Name |
Boc-D-Valine |
EINECS | 1533716-785-6 |
CAS No. | 22838-58-0 | Density | 1.079 g/cm3 |
PSA | 75.63000 | LogP | 2.01120 |
Solubility | N/A | Melting Point |
164-165 °C |
Formula | C10H19NO4 | Boiling Point | 341.845 °C at 760 mmHg |
Molecular Weight | 217.265 | Flash Point | 160.542 °C |
Transport Information | N/A | Appearance | white to off-white powder |
Safety | 24/25 | Risk Codes | N/A |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Valine,N-carboxy-, N-tert-butyl ester, D- (8CI);(R)-2-(tert-Butoxycarbonylamino)-3-methylbutanoic acid;N-tert-Butoxycarbonyl-D-valine;tert-Butoxycarbonyl-D-valine;Boc-D-Val-OH; |
Article Data | 19 |
The Boc-D-Valine, with the CAS registry number 22838-58-0, is also known as N-(tert-Butoxycarbonyl)-D-valine. It belongs to the product categories of Amino Acid Derivatives; Amino Acids; Valine [Val, V]; Boc-Amino Acids and Derivative; Amino Acids (N-Protected); Biochemistry; Boc-Amino Acids; Boc-Amino Acid Series. This chemical's molecular formula is C10H19NO4 and molecular weight is 217.26. What's more, its systematic name is called N-{[(2-Methyl-2-propanyl)oxy]carbonyl}-D-valine. It should be stored at 0-6 °C. When you are dealing with this chemical, you should avoid contacting with skin and eyes.
Physical properties about Boc-D-Valine are: (1)ACD/LogP: 1.979; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.04; (4)ACD/LogD (pH 7.4): -1.51; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 3.26; (8)ACD/KOC (pH 7.4): 1.00; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 75.63 Å2; (13)Index of Refraction: 1.461; (14)Molar Refractivity: 55.195 cm3; (15)Molar Volume: 201.328 cm3; (16)Polarizability: 21.881×10-24cm3; (17)Surface Tension: 36.350 dyne/cm; (18) Density: 1.079 g/cm3; (19)Flash Point: 160.542 °C; (20) Enthalpy of Vaporization: 64.347 kJ/mol; (21)Boiling Point: 341.845 °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(OC(C)(C)C)N[C@@H](C(=O)O)C(C)C
(2) InChI: InChI=1S/C10H19NO4/c1-6(2)7(8(12)13)11-9(14)15-10(3,4)5/h6-7H,1-5H3,(H,11,14)(H,12,13)/t7-/m1/s1
(3) InChIKey: SZXBQTSZISFIAO-SSDOTTSWSA-N