BDMAEE

Structural formula

Business number	03XC
Molecular formula	C9H13N3O5
Molecular weight	243.22
label	sponge cytosine, Cytosine-β-D-arabinofuranoside, Cytosine arabinoside, 1-β-D-arabinofuranosyl-4-amino-2(1H)-pyrimidinone, arabinocytosine, Cytarabine, 4-Amino-1-β-D-arabinofuranosyl-2(1H)-pyrimidinone, Arabinocytidine, Ara-C, Cytosine β-D-Arabinofuranoside

• 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:147-94-4

MDL number:MFCD00066487

EINECS number:205-705-9

RTECS number:HA5425000

BRN number:None

PubChem number:24892435

Physical property data

1. Properties: white or off-white crystalline powder

2. Melting point (℃): 214

3. Density: 1.89g/cm3

4. Solubility: soluble in water.

Toxicological data

1. Reproductive toxicity: rat abdominal TDLo: 100 mg/kg; rat abdominal TDLo: 20 mg/kg

Ecological data

Other harmful effects: This substance may be harmful to the environment, and special attention should be paid to water bodies.

Molecular structure data

1. Molar refractive index: 52.64

2. Molar volume (cm³/mol): 128.4

3. Isotonic specific volume (90.2K ): 395.1

4. Surface tension (dyne/cm): 89.5

5. Polarizability (10^-24cm³): 20.86

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): None

2. Number of hydrogen bond donors: 4

3. Number of hydrogen bond acceptors: 5

4. Number of rotatable chemical bonds: 2

5. Number of tautomers: 3

6. Topological molecule polar surface area 129

7. Number of heavy atoms: 17

8. Surface charge: 0

9. Complexity: 383

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 4

12. Uncertain number of atomic stereocenters: 0

13. Determine the number of chemical bond stereocenters: 0

14. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

Stable under normal temperature and pressure.

Storage method

Save at 2-8ºC.

Synthesis method

After hydrolysis of 5-cytosine nucleotide, cytosine nucleoside is obtained, which is then chlorinated, epoxidized and hydrolyzed in ammonia water, and finally formed into a salt.

Purpose

Anti-neoplastic drugs, used for acute myelitisCellular leukemia and acute lymphoblastic leukemia, etc. Has antiviral effects.