N-PYRIDOXYL-2-METHYL-L-GLUTAMIC ACID-5'-MONOPHOSPHATE
Thuốc Gốc
Small Molecule
CTHH: C14H21N2O9P
PTK: 392.2983
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C14H21N2O9P
Phân tử khối
392.2983
Monoisotopic mass
392.098466792
InChI
InChI=1S/C14H21N2O9P/c1-8-12(19)10(9(5-15-8)7-25-26(22,23)24)6-16-14(2,13(20)21)4-3-11(17)18/h5,16,19H,3-4,6-7H2,1-2H3,(H,17,18)(H,20,21)(H2,22,23,24)/t14-/m0/s1
InChI Key
InChIKey=CNIVMJHNGQZEAY-AWEZNQCLSA-N
IUPAC Name
(2S)-2-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]-2-methylpentanedioic acid
Traditional IUPAC Name
(2S)-2-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]-2-methylpentanedioic acid
SMILES
CC1=NC=C(COP(O)(O)=O)C(CN[C@@](C)(CCC(O)=O)C(O)=O)=C1O
Độ hòa tan
7.70e-01 g/l
logP
-4.3
logS
-2.7
pKa (strongest acidic)
1
pKa (Strongest Basic)
10.2
PSA
186.51 Å2
Refractivity
87.49 m3·mol-1
Polarizability
35.5 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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