CAS No.4105-38-8,2',3',5'-Tri-O-acetyluridine Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	4105-38-8
Name:	2',3',5'-Tri-O-acetyluridine
Article Data:	74

Formula:	C₁₅H₁₈N₂O₉
Molecular Weight:	370.316
Synonyms:	2',3',5'-Triacetyluridine;PN 401;RG 2133;Tri-O-acetyl uridine;Uridinetriacetate;
EINECS:	223-881-5
Density:	1.43 g/cm³
Melting Point:	124-134oC
Appearance:	white or almost white crystalline powder
Safety:	24/25
PSA:	142.99000
LogP:	-1.13950

Raw Materials

13035-61-5

69304-38-7

73416-11-2

75-36-5

65-46-3

58-96-8

108-24-7

66-22-8

Downstream Products

65-46-3

65-47-4

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Specification

The 2',3',5'-Triacetyluridine, with the CAS registry number 4105-38-8 and EINECS registry number 223-881-5, has the systematic name name of Uridine 2',3',5'-triacetate. And the molecular formula of the chemical is C₁₅H₁₈N₂O₉. What's more, it is always used to lessen fluorouracil toxicity, and it should be stored at -20°C .

The physical properties of 2',3',5'-Triacetyluridine are as followings: (1)ACD/LogP: -0.11; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -0.11; (4)ACD/LogD (pH 7.4): -0.18; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 20.68; (8)ACD/KOC (pH 7.4): 17.88; (9)#H bond acceptors: 11; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 128.75 Å²; (13)Index of Refraction: 1.552; (14)Molar Refractivity: 82.31 cm³; (15)Molar Volume: 257.5 cm³; (16)Polarizability: 32.63×10^-24cm³; (17)Surface Tension: 58.7 dyne/cm; (18)Density: 1.43 g/cm³.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C/1NC(=O)N(\C=C\1)[C@@H]2O[C@@H]([C@@H](OC(=O)C)[C@H]2OC(=O)C)COC(=O)C
(2)InChI: InChI=1/C15H18N2O9/c1-7(18)23-6-10-12(24-8(2)19)13(25-9(3)20)14(26-10)17-5-4-11(21)16-15(17)22/h4-5,10,12-14H,6H2,1-3H3,(H,16,21,22)/t10-,12-,13-,14-/m1/s1
(3)InChIKey: AUFUWRKPQLGTGF-FMKGYKFTBZ