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| CAS No.: | 66508-53-0 |
|---|---|
| Name: | Fosmidomycin |
| Article Data: | 6 |
| Molecular Structure: | |
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| Formula: | C4H9NNaO5P |
| Molecular Weight: | 183.10 |
| 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; |
| Density: | 1.6±0.1 g/cm3 |
| Melting Point: | 158-160° (dec); mp 160-166° (dec) (Hemmi) |
| Boiling Point: | 463.7±55.0 °C at 760 mmHg |
| Flash Point: | 234.3±31.5 °C |
| PSA: | 107.88000 |
| LogP: | 0.03770 |
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- Total:7 Page 1 of 1 1
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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