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4-Pyrimidinecarboxylicacid, hexahydro-2,6-dioxo-, (4R)-

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Name

4-Pyrimidinecarboxylicacid, hexahydro-2,6-dioxo-, (4R)-

EINECS N/A
CAS No. 5988-53-4 Density 1.523 g/cm3
PSA 95.50000 LogP -0.67330
Solubility N/A Melting Point 255 °C
Formula C5H6N2O4 Boiling Point N/A
Molecular Weight 158.11 Flash Point N/A
Transport Information N/A Appearance N/A
Safety 26-36 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 5988-53-4 (D-HYDROOROTIC ACID) Hazard Symbols IrritantXi
Synonyms

(R)-2,6-Dioxo-hexahydro-pyrimidine-4-carboxylic acid;(R)-Dihydroorotic acid;(R)-4,5-Dihydroorotic acid;4,5-Dihydro-D-orotic acid;

 

4-Pyrimidinecarboxylicacid, hexahydro-2,6-dioxo-, (4R)- 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

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