Tìm theo
N-(5'-Phosphopyridoxyl)-D-Alanine
Thuốc Gốc
Small Molecule
CTHH: C11H17N2O7P
PTK: 320.2356
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
320.2356
Monoisotopic mass
320.07733742
InChI
InChI=1S/C11H17N2O7P/c1-6-10(14)9(4-13-7(2)11(15)16)8(3-12-6)5-20-21(17,18)19/h3,7,13-14H,4-5H2,1-2H3,(H,15,16)(H2,17,18,19)/t7-/m1/s1
InChI Key
InChIKey=WACJCHFWJNNBPR-SSDOTTSWSA-N
IUPAC Name
(2R)-2-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]propanoic acid
Traditional IUPAC Name
PDA
SMILES
C[C@@H](NCC1=C(O)C(C)=NC=C1COP(O)(O)=O)C(O)=O
Độ hòa tan
1.48e+00 g/l
logP
-4.2
logS
-2.3
pKa (strongest acidic)
1.03
pKa (Strongest Basic)
9.86
PSA
149.21 Å2
Refractivity
71.99 m3·mol-1
Polarizability
28.92 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
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