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CAS No.: | 26879-47-0 |
---|---|
Name: | 5-Methyl-1-beta-L-ribofuranosyl-2,4(1H,3H)-pyrimidinedione |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C10H14N2O6 |
Molecular Weight: | 258.231 |
Synonyms: | Thymine,1-b-L-ribofuranosyl- (8CI); |
EINECS: | 200-070-4 |
Density: | 1.576g/cm3 |
PSA: | 104.55000 |
LogP: | -1.51430 |
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The L-Thymidine with cas registry number of 26879-47-0, has the systematic name of thymidine. And it is also named 1-[(2R,4S,5R)-4-Hydroxy-5-(hydroxymethyl)tetrahydro-2-furanyl]-5-methyl-2,4(1H,3H)-pyrimidinedione.
Physical properties about this chemical are: (1)ACD/LogP: -1.11; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.11; (4)ACD/LogD (pH 7.4): -1.12; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 5.92; (8)ACD/KOC (pH 7.4): 5.84; (9)#H bond acceptors: 7; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 68.31Å2; (13)Index of Refraction: 1.584; (14)Molar Refractivity: 55.84 cm3; (15)Molar Volume: 166.7 cm3; (16)Polarizability: 22.13×10-24cm3; (17)Surface Tension: 62.2 dyne/cm.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C/1NC(=O)N(\C=C\1C)[C@@H]2O[C@@H]([C@@H](O)C2)CO;
(2)InChI: InChI=1/C10H14N2O5/c1-5-3-12(10(16)11-9(5)15)8-2-6(14)7(4-13)17-8/h3,6-8,13-14H,2,4H2,1H3,(H,11,15,16)/t6-,7+,8+/m0/s1;
(3)InChIKey: IQFYYKKMVGJFEH-XLPZGREQBQ;
(4)Std. InChI: InChI=1S/C10H14N2O5/c1-5-3-12(10(16)11-9(5)15)8-2-6(14)7(4-13)17-8/h3,6-8,13-14H,2,4H2,1H3,(H,11,15,16)/t6-,7+,8+/m0/s1;
(5)Std. InChIKey: IQFYYKKMVGJFEH-XLPZGREQSA-N