CAS No.77180-80-4,5-Fluorouridine Suppliers

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Basic Information

Molecular Structure:
CAS No.:	77180-80-4
Name:	5-Fluorouridine

Formula:	C₉H₁₁FN₂O₆
Molecular Weight:	262.195
Synonyms:	5-Fluorouridine;
EINECS:	206-260-3
Density:	1.77 g/cm³
Melting Point:	182-184 ºC
Solubility:	soluble
Hazard Symbols:	Xn
Risk Codes:	40
Safety:	22-26-36/37
PSA:	124.78000
LogP:	-2.71280

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Specification

The 2,4(1H,3H)-Pyrimidinedione,5-fluoro-1-β-D-ribopyranosyl- (9CI), with the CAS registry number 77180-80-4, is also known as 5-Fluoro-1-β-D-ribofuranosyluracil. Its EINECS registry number is 206-260-3. This chemical's molecular formula is C₉H₁₁FN₂O₆ and molecular weight is 262.19. What's more, its systematic name is called 5-Fluorouridine.

Physical properties about 2,4(1H,3H)-Pyrimidinedione,5-fluoro-1-β-D-ribopyranosyl- (9CI) are: (1)ACD/LogP: -1.34; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.34; (4)ACD/LogD (pH 7.4): -1.42; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 4.42; (8)ACD/KOC (pH 7.4): 3.72; (9)#H bond acceptors: 8; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 77.54 Å²; (13)Index of Refraction: 1.641; (14)Molar Refractivity: 53.45 cm³; (15)Molar Volume: 148.1 cm³; (16)Surface Tension: 87.1 dyne/cm; (17)Density: 1.77 g/cm³.

When you are dealing with this chemical, you should be very careful. This chemical may cause damage to health and have a limited evidence of a carcinogenic effect. Therefore, you can not breathe it and should wear suitable protective clothing and gloves. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: FC=1C(=O)NC(=O)N(C=1)[C@@H]2O[C@@H]([C@@H](O)[C@H]2O)CO
(2) InChI: InChI=1/C9H11FN2O6/c10-3-1-12(9(17)11-7(3)16)8-6(15)5(14)4(2-13)18-8/h1,4-6,8,13-15H,2H2,(H,11,16,17)/t4-,5-,6-,8-/m1/s1
(3) InChIKey: FHIDNBAQOFJWCA-UAKXSSHOBF