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| CAS No.: | 65414-78-0 |
|---|---|
| Name: | H-D-ASP-OME |
| Article Data: | 14 |
| Molecular Structure: | |
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| Formula: | C5H9NO4 |
| Molecular Weight: | 147.131 |
| Synonyms: | h-d-asp-ome |
| EINECS: | 200-528-9 |
| Density: | 1.299 g/cm3 |
| Boiling Point: | 272.7 °C at 760 mmHg |
| Flash Point: | 118.7 °C |
| PSA: | 89.62000 |
| LogP: | -0.33830 |
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- Total:33 Page 1 of 1 1
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Specification
The H-D-Asp-Ome is an organic compound with C5H9NO4. The systematic name of this chemical is (3R)-3-ammonio-4-methoxy-4-oxobutanoate. With the CAS registry number 65414-78-0, it is also named as D-Aspartic acid, 1-methyl ester. The product's categories are Amino Acids Derivatives; Amino Acids and Derivatives. It is used as peptide synthesis. Additionally, this chemical should be stored at the temperature of -15 °C.
The other characteristics of this product can be summarized as: (1)ACD/LogP: -0.56; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.93; (4)ACD/LogD (pH 7.4): -3.27; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 5; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 63.6 ?2; (13)Index of Refraction: 1.477; (14)Molar Refractivity: 32.04 cm3; (15)Molar Volume: 113.2 cm3; (16)Polarizability: 12.7×10-24 cm3; (17)Surface Tension: 51.9 dyne/cm; (18)Density: 1.299 g/cm3; (19)Flash Point: 118.7 °C; (20)Enthalpy of Vaporization: 56.24 kJ/mol; (21)Boiling Point: 272.7 °C at 760 mmHg; (22)Vapour Pressure: 0.00166 mmHg at 25°C.
People can use the following data to convert to the molecule structure.
1. SMILES:O=C([O-])C[C@H](C(=O)OC)[NH3+]
2. InChI:InChI=1/C5H9NO4/c1-10-5(9)3(6)2-4(7)8/h3H,2,6H2,1H3,(H,7,8)/t3-/m1/s1
3. InChIKey:SWWBMHIMADRNIK-GSVOUGTGBN