Pseudouracil nucleoside Protoveratrine B

Structural formula

Business number	03JM
Molecular formula	C41H63NO15
Molecular weight	809.94
label	Protovertebrate B, aromatic compounds

• 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: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.