Basic information
- Name:
D-Aspartic acid,N-[(1,1-dimethylethoxy)carbonyl]-, 4-cyclohexyl ester
- Superlist Name:
- Boc-D-aspartic acid 4-cyslohexyl ester
- CAS No.:
112898-18-7
- Molecular Structure:
![Molecular Structure of 112898-18-7 (D-Aspartic acid,N-[(1,1-dimethylethoxy)carbonyl]-, 4-cyclohexyl ester)](http://www.lookchem.com/300w/2010/0617/112898-18-7.jpg)
- Formula:
- C15H25NO6
- Molecular Weight:
- 315.36
- Synonyms:
- Boc-D-Asp(OcHex)-OH;N-tert-Butyloxycarbonyl-D-aspartic acid 4-cyslohexyl ester;
- Density:
- 1.18 g/cm3
- Boiling Point:
- 487.2 °C at 760 mmHg
- Flash Point:
- 248.4 °C
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Specification
The CAS register number of D-Aspartic acid,N-[(1,1-dimethylethoxy)carbonyl]-, 4-cyclohexyl ester is 112898-18-7. It also can be called as N-tert-Butyloxycarbonyl-D-aspartic acid 4-cyslohexyl ester and the systematic name about this chemical is (2R)-2-[(tert-butoxycarbonyl)amino]-4-(cyclohexyloxy)-4-oxobutanoic acid (non-preferred name). The molecular formula about this chemical is C15H25NO6 and the molecular weight is 315.36. It belongs to the following product categories, such as Boc-Amino Acids and Derivative; Boc-Amino acid series and so on.
Physical properties about D-Aspartic acid,N-[(1,1-dimethylethoxy)carbonyl]-, 4-cyclohexyl ester are: (1)ACD/LogP: 3.55; (2)ACD/LogD (pH 5.5): 1.29; (3)ACD/LogD (pH 7.4): -0.06; (4)ACD/BCF (pH 5.5): 1.63; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 11.27; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 7; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 8; (11)Polar Surface Area: 82.14Å2; (12)Index of Refraction: 1.498; (13)Molar Refractivity: 78.43 cm3; (14)Molar Volume: 267.2 cm3; (15)Polarizability: 31.09x10-24cm3; (16)Surface Tension: 45.7 dyne/cm; (17)Enthalpy of Vaporization: 82.46 kJ/mol; (18)Boiling Point: 487.2 °C at 760 mmHg; (19)Vapour Pressure: 7.97E-11 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC1CCCCC1)C[C@H](C(=O)O)NC(=O)OC(C)(C)C
(2)InChI: InChI=1/C15H25NO6/c1-15(2,3)22-14(20)16-11(13(18)19)9-12(17)21-10-7-5-4-6-8-10/h10-11H,4-9H2,1-3H3,(H,16,20)(H,18,19)/t11-/m1/s1
(3)InChIKey: NLPQIWFEEKQBBN-LLVKDONJBV
(4)Std. InChI: InChI=1S/C15H25NO6/c1-15(2,3)22-14(20)16-11(13(18)19)9-12(17)21-10-7-5-4-6-8-10/h10-11H,4-9H2,1-3H3,(H,16,20)(H,18,19)/t11-/m1/s1
(5)Std. InChIKey: NLPQIWFEEKQBBN-LLVKDONJSA-N