N-Pyridoxyl-Glycine-5-Monophosphate
Thuốc Gốc
Small Molecule
CTHH: C10H15N2O7P
PTK: 306.2091
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C10H15N2O7P
Phân tử khối
306.2091
Monoisotopic mass
306.061687356
InChI
InChI=1S/C10H15N2O7P/c1-6-10(15)8(3-11-4-9(13)14)7(2-12-6)5-19-20(16,17)18/h2,11,15H,3-5H2,1H3,(H,13,14)(H2,16,17,18)
InChI Key
InChIKey=FEVQWBMNLWUBTF-UHFFFAOYSA-N
IUPAC Name
2-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]acetic acid
Traditional IUPAC Name
[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]acetic acid
SMILES
CC1=NC=C(COP(O)(O)=O)C(CNCC(O)=O)=C1O
Độ hòa tan
1.97e+00 g/l
logP
-4.9
logS
-2.2
pKa (strongest acidic)
0.99
pKa (Strongest Basic)
9.79
PSA
149.21 Å2
Refractivity
67.49 m3·mol-1
Polarizability
27.09 Å3
Rotatable Bond Count
7
H Bond Acceptor Count
8
H Bond Donor Count
5
Physiological Charge
-2
Number of Rings
1
Bioavailability
1
Rule of Five
true
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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