Tìm theo
Phosphonothreonine
Thuốc Gốc
Small Molecule
CTHH: C4H10NO6P
PTK: 199.0991
The phosphoric acid ester of threonine. Used as an identifier in the analysis of peptides, proteins, and enzymes. [PubChem]
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C4H10NO6P
Phân tử khối
199.0991
Monoisotopic mass
199.024573569
InChI
InChI=1S/C4H10NO6P/c1-2(3(5)4(6)7)11-12(8,9)10/h2-3H,5H2,1H3,(H,6,7)(H2,8,9,10)/t2-,3+/m0/s1
InChI Key
InChIKey=USRGIUJOYOXOQJ-STHAYSLISA-N
IUPAC Name
(2R,3S)-2-amino-3-(phosphonooxy)butanoic acid
Traditional IUPAC Name
phosphonothreonine
SMILES
C[C@H](OP(O)(O)=O)[C@@H](N)C(O)=O
Độ hòa tan
2.35e+01 g/l
logP
-2.7
logS
-0.93
pKa (strongest acidic)
1.21
pKa (Strongest Basic)
9.47
PSA
130.08 Å2
Refractivity
37.33 m3·mol-1
Polarizability
15.51 Å3
Rotatable Bond Count
4
H Bond Acceptor Count
6
H Bond Donor Count
4
Physiological Charge
-2
Number of Rings
0
Bioavailability
1
Rule of Five
true
Tài Liệu Tham Khảo Thêm
drugbank
http://www.drugbank.ca/drugs/DB02482
PubChem Compound
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=10976469
PubChem Substance
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=46506053
ChemSpider
http://www.chemspider.com/Chemical-Structure.991.html
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