N-Pyridoxyl-Threonine-5-Monophosphate
Thuốc Gốc
Small Molecule
CTHH: C12H19N2O8P
PTK: 350.2616
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C12H19N2O8P
Phân tử khối
350.2616
Monoisotopic mass
350.087902106
InChI
InChI=1S/C12H19N2O8P/c1-6-11(16)9(4-14-10(7(2)15)12(17)18)8(3-13-6)5-22-23(19,20)21/h3,7,10,14-16H,4-5H2,1-2H3,(H,17,18)(H2,19,20,21)/t7-,10-/m1/s1
InChI Key
InChIKey=IZWQBQLGLAKRMN-GMSGAONNSA-N
IUPAC Name
(2R,3R)-3-hydroxy-2-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]butanoic acid
Traditional IUPAC Name
(2R,3R)-3-hydroxy-2-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]butanoic acid
SMILES
C[C@@H](O)[C@@H](NCC1=C(O)C(C)=NC=C1COP(O)(O)=O)C(O)=O
Độ hòa tan
1.52e+00 g/l
logP
-5.3
logS
-2.4
pKa (strongest acidic)
1
pKa (Strongest Basic)
9.51
PSA
169.44 Å2
Refractivity
77.95 m3·mol-1
Polarizability
31.5 Å3
Rotatable Bond Count
8
H Bond Acceptor Count
9
H Bond Donor Count
6
Physiological Charge
-2
Number of Rings
1
Bioavailability
1
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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