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DL-2-Amino-5-phosphonopentanoic acid

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Name

DL-2-Amino-5-phosphonopentanoic acid

EINECS N/A
CAS No. 76326-31-3 Density 1.529 g/cm3
PSA 130.66000 LogP 0.05650
Solubility NH4OH 1 M: 50 mg/mL, clear, colorless Melting Point N/A
Formula C5H12NO5P Boiling Point 482.1 °C at 760 mmHg
Molecular Weight 197.128 Flash Point 245.4 °C
Transport Information N/A Appearance white solid
Safety 26-36 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 76326-31-3 (DL-2-Amino-5-phosphonopentanoic acid) Hazard Symbols IrritantXi
Synonyms

DL-Norvaline,5-phosphono-;2-Amino-5-phosphonopentanoic acid;2-Amino-5-phosphonovalericacid;5-Phosphono-DL-norvaline;AP 5 (amino acid);DL-2-Amino-5-phosphonovaleric acid;

Article Data 9

DL-2-Amino-5-phosphonopentanoic acid Specification

The DL-2-Amino-5-phosphonopentanoic acid, with the CAS registry number 76326-31-3, is also known as 2-Amino-5-phosphovaleric acid. It belongs to the product categories of Glutamate Receptor; Glutamate. This chemical's molecular formula is C5H12NO5P and molecular weight is 197.13. What's more, its IUPAC name is 2-amino-5-phosphonopentanoic acid. It should be sealed and stored in a cool and dry place. What's more, it should be protected from oxides and moisture.

Physical properties of DL-2-Amino-5-phosphonopentanoic acid are: (1)ACD/LogP: -2.32; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -5.81; (4)ACD/LogD (pH 7.4): -5.91; (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: 6; (10)#H bond donors: 5; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 74.88 Å2; (13)Index of Refraction: 1.536; (14)Molar Refractivity: 40.21 cm3; (15)Molar Volume: 128.9 cm3; (16)Polarizability: 15.94×10-24cm3; (17)Surface Tension: 79.4 dyne/cm; (18)Density: 1.529 g/cm3; (19)Flash Point: 245.4 °C; (20)Enthalpy of Vaporization: 81.81 kJ/mol; (21)Boiling Point: 482.1 °C at 760 mmHg; (22)Vapour Pressure: 1.28E-10 mmHg at 25°C.

Preparation: this chemical can be prepared by 3-benzyl-2-methylimino-thiazolidin-5-one by heating. This reaction will need reagent NaOH with the reaction time of 15 hours. The yield is about 92%.

Uses of DL-2-Amino-5-phosphonopentanoic acid: it can be used to produce 2-phenylacetylamino-5-phosphono-pentanoic acid at the temperature of 0 - 5 °C. It will need solvents dioxane, H2O. The yield is about 69%.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C(CC(C(=O)O)N)CP(=O)(O)O
(2)InChI: InChI=1S/C5H12NO5P/c6-4(5(7)8)2-1-3-12(9,10)11/h4H,1-3,6H2,(H,7,8)(H2,9,10,11)
(3)InChIKey: VOROEQBFPPIACJ-UHFFFAOYSA-N

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