Structural formula

Business number	014A
Molecular formula	C10H14N2O5
Molecular weight	242.23
label	β-Thymidine, 2′-deoxythymidine, β-Thymidine, 1-(2-Deoxy-β-D-ribofuranosyl)-5-methyluracil, 1-(2-Deoxy-β-D-ribofuranosyl)thymine, 2′-Deoxythymidine, dT, Thymine deoxyriboside, For nucleic acid synthesis

• Numbering system
• Physical property data
• Toxicological data
• Ecological data
• Molecular structure data
• Computing chemical data
• More
  • Properties and Stability
  • Storage method
  • Synthesis method
  • Purpose

Numbering system

CAS number:50-89-5

MDL number:MFCD00006537

EINECS number:200-070-4

RTECS number:XP2071000

BRN number:89285

PubChem number:24899996

Physical property data

1. Properties: white needle-like crystalline powder.

2. Density (g/mL, 25/4℃): Undetermined

3. Relative vapor density (g/mL, air=1): Undetermined

4. Melting point (oC): 185

5. Boiling point (oC, normal pressure): Undetermined

6. Boiling point (oC, 5.2kPa): Undetermined

7. Refractive index: Undetermined

8. Flash point (oC): Undetermined

9. Specific rotation (o): [α] _D²⁵ +30.6° (C＝1.029)

10. Autoignition point or ignition temperature (oC): Undetermined

11. Vapor pressure (kPa, 25oC): Undetermined

12. Saturated vapor pressure (kPa, 60oC): Undetermined

13. Heat of combustion (KJ/mol) : Undetermined

14. Critical temperature (oC): Undetermined

15. Critical pressure (KPa): Undetermined

16. Oil and water (octanol /water) logarithmic value of the distribution coefficient: Undetermined

17. Explosion upper limit (%, V/V): Undetermined

18. Explosion lower limit (%, V/V) : Undetermined

19. Solubility: Soluble in water, methanol, hot ethanol, hot acetone, hot ethyl acetate, pyridine and glacial acetic acid, slightly soluble in hot chloroform.

Toxicological data

None

Ecological data

None

Molecular structure data

1. Molar refractive index: 55.84

2. Molar volume (cm³/mol): 89.2

3. Isotonic specific volume (90.2K ): 166.7

4. Surface tension (dyne/cm): 62.2

5. Polarizability (10-24cm3): 22.13

Compute chemical data

1. Hydrophobic parameter calculation reference value (XlogP): -1.2

2. Number of hydrogen bond donors: 3

3. Number of hydrogen bond acceptors: 5

p>

4. Number of rotatable chemical bonds: 2

5. Number of tautomers: 3

6. Topological molecular polar surface area (TPSA): 99.1

7. Number of heavy atoms: 17

8. Surface charge: 0

9. Complexity: 381

10. Isotopic atoms Quantity: 0

11. Determine the number of atomic stereocenters: 3

12. Uncertain number of atomic stereocenters: 0

13. Determine chemical bond positions Number of stereocenters: 0

14. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

None

Storage method

This product should be kept sealed and dry.

Synthesis method

None

Purpose

Used as pharmaceutical intermediates for the synthesis of antiviral and anti-HIV drugs

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