cordycepin

structural formula

• 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:73-03-0

mdl number:mfcd00037998

einecs number:200-791-4

rtecs number:au7358610

brn number:35194

pubchem number:24892611

physical property data

1. character:needle crystal

2. density (g/ml,25/4℃): unsure

3. relative vapor density (g/ml,air=1): unsure

4. melting point (ºc):225-226

5. boiling point (ºc,normal pressure): uncertain

6. boiling point (ºc, 5.2 kpa): unsure

7. refractive index:not sure

8. flash point (ºc): unsure

9. specific rotation (º): [α]d20 －47°,[α]d27－42°
10. autoignition point or ignition temperature (ºc): unsure

11. vapor pressure (kpa,25 ºc): unsure

12. saturated vapor pressure (kpa,60 ºc): unsure

13. heat of combustion (kj/mol): unsure

14. critical temperature (ºc): unsure

15. critical pressure (kpa): unsure

16. oil and water ( octanol/water) log value of partition coefficient: uncertain

17. explosion limit (%,v/v): unsure

18. lower explosion limit (%,v/v): unsure

19. solubility: soluble in water.

toxicological data

reproduction: mouse abdominal cavity tdlo：80 mg/kgsex/duration : female 7 day(s) after conception;

mutagenic:microorganismsmutation testing system：25 mg/l; non-mammalian liver mutation testing system：100 umol /l; human fibroblastdnadamage detection system：500 umol/l ;

ecological data

none

molecular structure data

1. molar refractive index:59.10

2. moore volume (m³/mol): 130.8

3. isotonic specific volume (90.2k):407.1

4. surface tension (dyne/cm):93.6

5. polarizability（10^-24cm³): 23.43

compute chemical data

1. reference value for hydrophobic parameter calculation (xlogp): none

2. number of hydrogen bond donors: 3

3. number of hydrogen bond acceptors: 7

4. number of rotatable chemical bonds: 2

5. number of tautomers: 3

6. topological molecule polar surface area 119

7. number of heavy atoms: 18

8. surface charge: 0

9. complexity: 307

10. number of isotope atoms: 0

11. determine the number of atomic stereocenters: 3

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

none

storage method

this product should be sealed in0store dry and below ℃.

synthesis method

[ cordyceps militaris (l.)link] can also be chemically synthesized or biosynthesized

purpose

for biochemical research, inhibitors of ribonucleic acid synthesis.

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