cordycepin – Pu catalyst

Structural formula

Business number	01HA
Molecular formula	C10H13N5O3
Molecular weight	251.24
label	cordycepin, 3′-deoxyadenosine, Cordyceps products, cordycepin militaris, Cordyceps mycelium, 3-deoxyacylglycoside, 3′-Deoxyadenosine, 3′-Deoxy-D-adenosine, 9-Cordyceposidoadenine

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.