Vitamin B6 Complexed with 2-Amino-Hexanoic Acid
Thuốc Gốc
Small Molecule
CTHH: C14H23N2O7P
PTK: 362.3154
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C14H23N2O7P
Phân tử khối
362.3154
Monoisotopic mass
362.124287612
InChI
InChI=1S/C14H23N2O7P/c1-3-4-5-12(14(18)19)16-7-11-10(8-23-24(20,21)22)6-15-9(2)13(11)17/h6,12,16-17H,3-5,7-8H2,1-2H3,(H,18,19)(H2,20,21,22)/t12-/m1/s1
InChI Key
InChIKey=NHVFCSUYJRWFNW-GFCCVEGCSA-N
IUPAC Name
(2R)-2-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]hexanoic acid
Traditional IUPAC Name
(2R)-2-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]hexanoic acid
SMILES
CCCC[C@@H](NCC1=C(O)C(C)=NC=C1COP(O)(O)=O)C(O)=O
Độ hòa tan
6.87e-01 g/l
logP
-2.7
logS
-2.7
pKa (strongest acidic)
1.19
pKa (Strongest Basic)
10.08
PSA
149.21 Å2
Refractivity
85.71 m3·mol-1
Polarizability
34.75 Å3
Rotatable Bond Count
10
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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