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| CAS No.: | 5988-19-2 |
|---|---|
| Name: | L-DIHYDROOROTIC ACID |
| Molecular Structure: | |
|
|
|
| Formula: | C5H6N2O4 |
| Molecular Weight: | 158.114 |
| Synonyms: | 4-Pyrimidinecarboxylicacid, hexahydro-2,6-dioxo-, (S)-;Hydroorotic acid, L- (8CI);L-5,6-Dihydroorotic acid;L-Dihydroorotate;L-Dihydroorotic acid; |
| EINECS: | 624-952-7 |
| Density: | 1.524 g/cm3 |
| Melting Point: | 254-255 °C (dec.)(lit.) |
| Boiling Point: | 283.16°C (rough estimate) |
| Solubility: | Soluble in water (partly), and dimethyl formamide. |
| Appearance: | White to off-white crystalline powder |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 26-36 |
| PSA: | 95.50000 |
| LogP: | -0.67330 |
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| Conditions | Yield |
|---|---|
| durch enzymatische Reduktion; |
| Conditions | Yield |
|---|---|
| With sodium ethanolate |
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Specification
The L-Dihydroorotic acid with the cas number 5988-19-2 is also called L-4,5-dihydroorotic acid. The IUPAC name is (4S)-2,6-dioxo-1,3-diazinane-4-carboxylic acid. Its molecular formula is C5H6N2O4. This chemical belongs to the following product categories: (1)Heterocycles; (2)Miscellaneous Biochemicals; (3)Amino Acid Derivatives. It is white to off-white crystalline powder. It should be stored at 0-5°C.
Properties Computed from Structure: (1)XLogP3-AA -1.5 ; (2)H-Bond Donor: 3; (3)H-Bond Acceptor: 4; (4)Rotatable Bond Count: 1; (5)Tautomer Count: 8; (6)Exact Mass: 158.032757; (7)MonoIsotopic Mass: 158.032757; (8)Topological Polar Surface Area: 95.5; (9)Heavy Atom Count: 11; (10)Formal Charge: 0; (11)Complexity: 225; (12)Isotope Atom Count: 0; (13)Defined Atom StereoCenter Count: 1; (14)Undefined Atom StereoCenter Count: 0; (15)Defined Bond StereoCenter Count: 0; (16)Undefined Bond StereoCenter Count: 0; (17)Covalently-Bonded Unit Count: 1.
When you are using this chemical, please be cautious about it as the following: (1)Irritating to eyes, respiratory system and skin; (2)In case of contact with eyes, rinse immediately with plenty of water and seek medical advice; (3)Wear suitable protective clothing.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1C(NC(=O)NC1=O)C(=O)O
(2)InChI: InChI=1S/C5H6N2O4/c8-3-1-2(4(9)10)6-5(11)7-3/h2H,1H2,(H,9,10)(H2,6,7,8,11)/t2-/m0/s1
(3)InChIKey: UFIVEPVSAGBUSI-REOHCLBHSA-N