2-chloroadenosine

Structural formula

Business number	03X0
Molecular formula	C10H12ClN5O4
Molecular weight	301.69
label	2-Chloroadenine nucleoside, 6-Amino-2-chloropurine riboside

• 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:146-77-0

MDL number:MFCD00005734

EINECS number:205-678-3

RTECS number:AU7357550

BRN number:None

PubChem number:24277688

Physical property data

1. Physical property data:

1. Appearance: white to white hygroscopic powder.

2. Melting point 145 ～ 150℃.

Toxicological data

2. Toxicological data:

1, acute toxicity: mice oral LD: >100 mg/kg ;

Mouse intravenous LDLo: 50 mg/kg.

2. Reproductive toxicity: mouse abdominal cavity TDLo: 603 ug/kg

Ecological data

3. Ecological data:

Usually for Water is not hazardous and materials should not be discharged into the surrounding environment without government permission.

Molecular structure data

5. Molecular property data:

1. Molar refractive index:64.55

2. Molar volume (m³/mol):137.4

3. Isotonic specific volume (90.2K):441.6

4. Surface tension (dyne/cm):106.5

5. Polarizability(10^-24cm³）：25.59

Compute chemical data

4. Calculated chemical data:

1. Hydrophobic parameters Calculate reference value (XlogP）：-0.1

2. Hydrogen Bonding Number of donors: 4

3. Hydrogen Bonding Number of receptors: 8

4. Number of rotatable chemical bonds ：2

5. Topological molecules Polar surface area (TPSA）：140

6. Heavy atoms Quantity: 20

7. Surface charge ：0

8. Complexity ：367

9. Isotope atomic number:0

10. Determine the number of atomic stereocenters:0

11. Uncertain number of atomic stereocenters:4

12. Determine the number of stereocenters of chemical bonds:0

13. Uncertain number of chemical bond stereocenters:0

14. Number of covalent bond units: 1

Properties and stability

Stable under normal temperature and pressure.

Storage method

Save in a dry and cool place.

Synthesis method

None

Purpose

None

FAMILY: Arial; mso-fareast-font-family: Arial”>10. Determine the number of atomic stereocenters:0

11. Uncertain number of atomic stereocenters:4

12. Determine the number of stereocenters of chemical bonds:0

13. Uncertain number of chemical bond stereocenters:0

14. Number of covalent bond units: 1

Properties and stability

Stable under normal temperature and pressure.

Storage method

Save in a dry and cool place.

Synthesis method

None

Purpose

None