InChI: | InChI=1/C3H8NO5P.Na/c5-3(6)1-4-2-10(7,8)9;/h4H,1-2H2,(H,5,6)(H2,7,8,9);/q;+1/p-1 |
Specification: |
The cas register number of Glyphosate-sodium is 34494-03-6. It also can be called as N-Phosphonomethylglycine monosodium salt and the Systematic name about this chemical is sodium (carboxymethylamino)methyl-hydroxyphosphinate.
Physical properties about Glyphosate-sodium are: storage temp: (1)ACD/LogP: -2.36; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -5.98; (4)ACD/LogD (pH 7.4): -6.75; (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: 4; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 85.88 Å2; (13)Flash Point: 235.5 °C; (14)Enthalpy of Vaporization: 79.71 kJ/mol; (15)Boiling Point: 465.8 °C at 760 mmHg; (16)Vapour Pressure: 5.74E-10 mmHg at 25°C.
People can use the following data to convert to the molecule structure.
1.SMILES: Na+].[O-]P(=O)(O)CNCC(=O)O
2.InChI: InChI=1/C3H8NO5P.Na/c5-3(6)1-4-2-10(7,8)9;/h4H,1-2H2,(H,5,6)(H2,7,8,9);/q;+1/p-1
3.InChIKey: YWICANUUQPYHOW-REWHXWOFAW
4.Std. InChI: InChI=1S/C3H8NO5P.Na/c5-3(6)1-4-2-10(7,8)9;/h4H,1-2H2,(H,5,6)(H2,7,8,9);/q;+1/p-1.
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