N-PYRIDOXYL-D-GLUTAMIC ACID-5'-MONOPHOSPHATE
Thuốc Gốc
Small Molecule
CTHH: C13H19N2O9P
PTK: 378.2717
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C13H19N2O9P
Phân tử khối
378.2717
Monoisotopic mass
378.082816728
InChI
InChI=1S/C13H19N2O9P/c1-7-12(18)9(8(4-14-7)6-24-25(21,22)23)5-15-10(13(19)20)2-3-11(16)17/h4,10,15,18H,2-3,5-6H2,1H3,(H,16,17)(H,19,20)(H2,21,22,23)/t10-/m1/s1
InChI Key
InChIKey=JMRKOGDJNHPMHS-SNVBAGLBSA-N
IUPAC Name
(2R)-2-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]pentanedioic acid
Traditional IUPAC Name
(2R)-2-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]pentanedioic acid
SMILES
CC1=NC=C(COP(O)(O)=O)C(CN[C@H](CCC(O)=O)C(O)=O)=C1O
Độ hòa tan
8.19e-01 g/l
logP
-4.8
logS
-2.7
pKa (strongest acidic)
0.98
pKa (Strongest Basic)
10.12
PSA
186.51 Å2
Refractivity
82.78 m3·mol-1
Polarizability
33.69 Å3
Rotatable Bond Count
10
H Bond Acceptor Count
10
H Bond Donor Count
6
Physiological Charge
-3
Number of Rings
1
Bioavailability
1
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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