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Fosmidomycin

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Name

Fosmidomycin

EINECS N/A
CAS No. 66508-53-0 Density 1.6±0.1 g/cm3
PSA 107.88000 LogP 0.03770
Solubility N/A Melting Point 158-160° (dec); mp 160-166° (dec) (Hemmi)
Formula C4H9NNaO5P Boiling Point 463.7±55.0 °C at 760 mmHg
Molecular Weight 183.10 Flash Point 234.3±31.5 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 66508-53-0 (Fosmidomycin) Hazard Symbols N/A
Synonyms

Phosphonic acid, [3-(formylhydroxyamino)- propyl]-;Antibiotic FR 31705;(3-(Formylhydroxyamino)propyl)phosphonic acid monosodium salt;3-(N-Formyl-N-hydroxyamino)-propylphosphonic acid;3-(formyl-hydroxy-amino)propylphosphonic acid;(3-(Formylhydroxyamino)propyl)phosphonic acid, monosodium salt;(3-(N-Hydroxyformamido)propyl)phosphonic acid;Phosphonic acid, (3-(formylhydroxyamino)propyl)-, monosodium salt;

Article Data 6

Fosmidomycin Specification

The Fosmidomycin, with the CAS registry number 66508-53-0, is also known as 3-(N-Formyl-N-hydroxyamino)-propylphosphonic acid. This chemical's molecular formula is C4H10NO5P and molecular weight is 183.10. What's more, its systematic name is {3-[Formyl(hydroxy)amino]propyl}phosphonic acid. 

Physical properties of Fosmidomycin are: (1)ACD/LogP: -2.47±0.63; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -5.37; (4)ACD/LogD (pH 7.4): -6.07; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.00; (8)ACD/KOC (pH 7.4): 1.00; (9)#H bond acceptors: 6; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 107.88 Å2; (13)Index of Refraction: 1.533; (14)Molar Refractivity: 36.0±0.3 cm3; (15)Molar Volume: 115.8±3.0 cm3; (16)Polarizability: 14.3±0.5×10-24cm3; (17)Surface Tension: 81.7±3.0 dyne/cm; (18)Density: 1.6±0.1 g/cm3; (19)Flash Point: 234.3±31.5 °C; (20)Enthalpy of Vaporization: 79.4±6.0 kJ/mol; (21)Boiling Point: 463.7±55.0 °C at 760 mmHg; (22)Vapour Pressure: 0.0±2.5 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: C(CN(C=O)O)CP(=O)(O)O
(2)Std. InChI: InChI=1S/C4H10NO5P/c6-4-5(7)2-1-3-11(8,9)10/h4,7H,1-3H2,(H2,8,9,10)
(3)Std. InChIKey: GJXWDTUCERCKIX-UHFFFAOYSA-N

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