CAS No.138-08-9,2-dihydroxyphosphinoyloxyacrylic acid Suppliers

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Basic Information

Molecular Structure:
CAS No.:	138-08-9
Name:	2-dihydroxyphosphinoyloxyacrylic acid
Article Data:	39

Formula:	C₃H₅O₆P
Molecular Weight:	168.043
Synonyms:	PEP (phosphate);Phosphoenolpyruvic acid;Acrylicacid, 2-hydroxy-, dihydrogen phosphate (8CI);2-Dihydroxyphosphinoyloxyacrylic acid;2-(Phosphonooxy)prop-2-enoic acid;2-(Phosphonooxy)acrylic acid;Acid 2-(phosphonooxy)acrylique;
EINECS:	205-312-2
Density:	1.804 g/cm³
Boiling Point:	466.7 °C at 760 mmHg
Flash Point:	236.1 °C
PSA:	113.87000
LogP:	-0.30600

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Specification

The 2-Propenoic acid,2-(phosphonooxy)-, with the CAS registry number 138-08-9, is also known as 2-Dihydroxyphosphinoyloxyacrylic acid. Its EINECS number is 205-312-2. This chemical's molecular formula is C₃H₅O₆P and molecular weight is 168.04. What's more, its systematic name is 2-(Phosphonooxy)prop-2-enoic acid.

Physical properties of 2-Propenoic acid,2-(phosphonooxy)- are: (1)ACD/LogP: -1.23; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -6.05; (4)ACD/LogD (pH 7.4): -6.84; (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: 3; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 80.87 Å²; (13)Index of Refraction: 1.53; (14)Molar Refractivity: 28.76 cm³; (15)Molar Volume: 93 cm³; (16)Polarizability: 11.4×10^-24cm³; (17)Surface Tension: 86.2 dyne/cm; (18)Density: 1.804 g/cm³; (19)Flash Point: 236.1 °C; (20)Enthalpy of Vaporization: 79.83 kJ/mol; (21)Boiling Point: 466.7 °C at 760 mmHg; (22)Vapour Pressure: 5.29E-10 mmHg at 25°C.

Uses of 2-Propenoic acid,2-(phosphonooxy)-: it can be used to produce 2,4,5-trihydroxy-6-(1-hydroxy-2-phosphonooxy-ethyl)-tetrahydro-pyran-2-carboxylic acid at the temperature of 37 °C. It will need reagents DAH 7-P synthase, MnCl₂, tris buffer (pH 7.5) and solvent H₂O with the reaction time of 10 min. The yield is about 60%.

2-Propenoic acid,2-(phosphonooxy)- can be used to produce 2,4,5-trihydroxy-6-(1-hydroxy-2-phosphonooxy-ethyl)-tetrahydro-pyran-2-carboxylic acid at the temperature of 37 °C

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C=C(C(=O)O)OP(=O)(O)O
(2)InChI: InChI=1S/C3H5O6P/c1-2(3(4)5)9-10(6,7)8/h1H2,(H,4,5)(H2,6,7,8)
(3)InChIKey: DTBNBXWJWCWCIK-UHFFFAOYSA-N