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78739-01-2

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Basic Information
CAS No.: 78739-01-2
Name: D-AP4
Article Data: 6
Molecular Structure:
Molecular Structure of 78739-01-2 (D-AP4)
Formula: C4H10NO5P
Molecular Weight: 183.101
Synonyms: Butanoic acid, 2-amino-4-phosphono-, (R)-;(R)-2-Amino-4-phosphonobutanoic acid;D-(-)-2-Amino-4-phosphonobutanoic acid;D-(-)-2-Amino-4-phosphonobutyric acid;D-2-Amino-4-phosphonobutanoic acid;D-2-Amino-4-phosphonobutyric acid;
Density: 1.628g/cm3
Melting Point: 212-213 °C
Boiling Point: 491.7 °C at 760 mmHg
Flash Point: 251.2 °C
Appearance: white to off-white powder
Safety: 24/25
PSA: 130.66000
LogP: -0.33360
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Specification

The Butanoic acid, 2-amino-4-phosphono-, (2R)- is an organic compound with the formula C4H10NO5P. The IUPAC name of this chemical is (2R)-2-azaniumyl-4-phosphonatobutanoate. With the CAS registry number 78739-01-2, the product's category is Glutamate Receptor. Besides, it is a white to off-white powder, which should be stored in a closed cool and dry place.

Physical properties about Butanoic acid, 2-amino-4-phosphono-, (2R)- are: (1)ACD/LogP: -2.39; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -5.89; (4)ACD/LogD (pH 7.4): -6.02; (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: 5; (12)Polar Surface Area: 104.64 Å2; (13)Flash Point: 251.2 °C; (14)Enthalpy of Vaporization: 83.05 kJ/mol; (15)Boiling Point: 491.7 °C at 760 mmHg; (16)Vapour Pressure: 5.18E-11 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: [O-]P([O-])(=O)CC[C@H](C(=O)[O-])[NH3+]
(2)InChI: InChI=1/C4H10NO5P/c5-3(4(6)7)1-2-11(8,9)10/h3H,1-2,5H2,(H,6,7)(H2,8,9,10)/p-2/t3-/m1/s1
(3)InChIKey: DDOQBQRIEWHWBT-WRXMFHOGBR
(4)Std. InChI: InChI=1S/C4H10NO5P/c5-3(4(6)7)1-2-11(8,9)10/h3H,1-2,5H2,(H,6,7)(H2,8,9,10)/p-2/t3-/m1/s1
(5)Std. InChIKey: DDOQBQRIEWHWBT-GSVOUGTGSA-L