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| CAS No.: | 5988-53-4 |
|---|---|
| Name: | D-HYDROOROTIC ACID |
| Molecular Structure: | |
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| Formula: | C5H6N2O4 |
| Molecular Weight: | 158.11 |
| Synonyms: | (R)-2,6-Dioxo-hexahydro-pyrimidine-4-carboxylic acid;(R)-Dihydroorotic acid;(R)-4,5-Dihydroorotic acid;4,5-Dihydro-D-orotic acid; |
| Density: | 1.523 g/cm3 |
| Melting Point: | 255 °C |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 36/37/38 |
| Safety: | 26-36 |
| PSA: | 95.50000 |
| LogP: | -0.67330 |
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- Total:24 Page 1 of 1 1
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Specification
The 4-Pyrimidinecarboxylicacid, hexahydro-2,6-dioxo-, (4R)-, with the CAS registry number 5988-53-4, is also known as 4,5-Dihydro-D-orotic acid. This chemical's molecular formula is C5H6N2O4 and molecular weight is 158.11. What's more, its systematic name is (4R)-2,6-Dioxohexahydropyrimidine-4-carboxylic acid.
Physical properties of 4-Pyrimidinecarboxylicacid, hexahydro-2,6-dioxo-, (4R)- are: (1)(1)ACD/LogP: -1.30; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.65; (4)ACD/LogD (pH 7.4): -4.93; (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: 1; (12)Polar Surface Area: 66.92 Å2; (13)Index of Refraction: 1.519; (14)Molar Refractivity: 31.51 cm3; (15)Molar Volume: 103.7 cm3; (16)Polarizability: 12.49×10-24cm3; (17)Surface Tension: 59 dyne/cm; (18)Density: 1.523 g/cm3.
When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C1NC(=O)N[C@@H](C(=O)O)C1
(2)Std. 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-/m1/s1
(3)Std. InChIKey: UFIVEPVSAGBUSI-UWTATZPHSA-N