5-Hydroxytryptophan

2024-05-23by admin0

5-hydroxytryptophan structural formula

Structural formula

Business number 017T
Molecular formula C11H12N2O3
Molecular weight 220.23
label

DL-2-amino-3-(5-hydroxyindole)propionic acid

Numbering system

CAS number:56-69-9

MDL number:MFCD00005651

EINECS number:200-284-8

RTECS number:YN7100000

BRN number:88199

PubChem ID:None

Physical property data

None

Toxicological data

1, acute toxicity: mouse abdominal cavityLD50 200mg/kg
2 , Reproductive toxicity: male rat abdominal cavity TDLo: 30mg/kg, 1 >Mating days before

Ecological data

None

Molecular structure data

5. Molecular property data:


1. Molar refractive index: 59.65


2. Molar volume (m3/mol):148.3


3. isotonic specific volume (90.2K):450.3


4. Surface Tension (dyne/cm):85.0


5. Polarizability10-24cm3): 23.64

Compute chemical data

1. Reference value for calculating hydrophobic parameters (XlogP): -1.2


2. Number of hydrogen bond donors: 4


3. Number of hydrogen bond acceptors: 4


4. Number of rotatable chemical bonds: 3


5. Number of tautomers: 8


6. Topological molecular polar surface area (TPSA):99.3


7. Number of heavy atoms: 16


8. Surface charge: 0


9. Complexity: 272


10. Number of isotope atoms: 0


11. Determine the number of atomic stereocenters: 0


12. The number of uncertain atomic stereocenters: 1


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

None

Storage method

None

Synthesis method

None

Purpose

None

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