CAS No.3416-05-5,2',3'-Dideoxythymidine Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	3416-05-5
Name:	2',3'-Dideoxythymidine
Article Data:	30

Formula:	C₁₀H₁₄N₂O₄
Molecular Weight:	226.232
Synonyms:	1-[(2R,5S)-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-methylpyrimidine-2,4(1H,3H)-dione;3'-Deoxythymidine;D 2T;2,4(1H,3H)-pyrimidinedione, 5-methyl-1-[(2R,5S)-tetrahydro-5-(hydroxymethyl)-2-furanyl]-;1-(5-Hydroxymethyl-tetrahydro-furan-2-yl)-5-methyl-1H-pyrimidine-2,4-dione;
EINECS:	2017-001-1
Density:	1.332g/cm³
Melting Point:	155-156 oC
Safety:	S22;S24/25
PSA:	84.32000
LogP:	-0.48510

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Specification

The 2',3'-Dideoxythymidine with the cas number 3416-05-5, is also called 1-[(2R,5S)-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-methylpyrimidine-2,4(1H,3H)-dione.When you are using this chemical, please be cautious about it as the following: (1)Do not breathe dust; (2)Avoid contact with skin and eyes.

The properties of the chemical are: (1)ACD/LogP: -0.77; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.76; (4)ACD/LogD (pH 7.4): -0.77; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 9.14; (8)ACD/KOC (pH 7.4): 9.04; (9)#H bond acceptors: 6; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 59.08 Å²; (13)Index of Refraction: 1.551; (14)Molar Refractivity: 54.25 cm³; (15)Molar Volume: 169.8 cm³; (16)Polarizability: 21.5×10^-24cm³; (17)Surface Tension: 50.9 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](CC2)CO
(2)InChI: InChI=1/C10H14N2O4/c1-6-4-12(10(15)11-9(6)14)8-3-2-7(5-13)16-8/h4,7-8,13H,2-3,5H2,1H3,(H,11,14,15)/t7-,8+/m0/s1