Pseudouracil nucleoside Protoveratrine B
Structural formula
| Business number | 03JM |
|---|---|
| Molecular formula | C41H63NO15 |
| Molecular weight | 809.94 |
| label |
Protovertebrate B, aromatic compounds |
Numbering system
CAS number:124-97-0
MDL number:MFCD00135925
EINECS number:None
RTECS number:FL5750000
BRN number:None
PubChem ID:None
Physical property data
Properties: colorless tetragonal crystal.
Solubility: Soluble in hot ethanol, chloroform and pyridine, slightly soluble in cold ethanol, almost insoluble in water.
Toxicological data
Acute toxicity data
Rat skinLD50: 920 ug/kg
Mouse skinLD50: 210 ug/kg
Mouse veinLD50: 65 ug/kg
Dog veinLDLo:2025 ug/kg
Rabbit skinLD50: 170 ug/kg
Rabbit veinLD50: 40 ug/kg
Ecological data
None
Molecular structure data
五, Molecular property data:
1. Molar refractive index: 199.60
2. Molar volume (m3/mol）：581.1
3. isotonic specific volume (90.2K):1666.2
4. Surface Tension (dyne/cm):67.5
5. Polarizability（10-24cm3):79.12
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP):1
2. Number of hydrogen bond donors: 6
3. Number of hydrogen bond acceptors: 16
4. Number of rotatable chemical bonds: 12
5. Number of tautomers:
6. Topological molecular polar surface area (TPSA):239
7. Number of heavy atoms: 57
1. Reference value for hydrophobic parameter calculation (XlogP): 1
2. Number of hydrogen bond donors: 6
3. Number of hydrogen bond acceptors: 16
4. Number of rotatable chemical bonds: 12
5. Number of tautomers:
6. Topological molecular polar surface area (TPSA):239
7. Number of heavy atoms: 57
8. Surface charge: 0
9. Complexity: 1660
10. Number of isotope atoms: 0
11. Determine the number of atomic stereocenters: 20
12. The number of uncertain atomic stereocenters: 0
13. Determine the number of stereocenters of chemical bonds: 0
14. Uncertain number of chemical bond stereocenters: 0
15. Number of covalent bond units: 1
Properties and stability
Basic properties: A natural structural analog of uracil nucleoside. The ribose sugar is not connected to uracil N1, but to C5 of the pyrimidine ring.
Storage method
None
Synthesis method
Brief description of the production method: Pseudouracil nucleotides are rare nucleotides present in tRNA
Purpose
Purpose: Detecting its content can diagnose gastric cancer, tumors and other diseases.
Biochemical research. Pharmaceuticals.
font-family: 宋体; mso-font-kerning: 0pt”>8. Surface charge: 0
9. Complexity: 1660
10. Number of isotope atoms: 0
11. Determine the number of atomic stereocenters: 20
12. The number of uncertain atomic stereocenters: 0
13. Determine the number of stereocenters of chemical bonds: 0
14. Uncertain number of chemical bond stereocenters: 0
15. Number of covalent bond units: 1
Properties and stability
Basic properties: A natural structural analog of uracil nucleoside. The ribose sugar is not connected to uracil N1, but to C5 of the pyrimidine ring.
Storage method
None
Synthesis method
Brief description of the production method: Pseudouracil nucleotides are rare nucleotides present in tRNA
Purpose
Purpose: Detecting its content can diagnose gastric cancer, tumors and other diseases.
Biochemical research. Pharmaceuticals.