Pyridoxine-5'-Phosphate
Thuốc Gốc
Small Molecule
CAS: 447-05-2
CTHH: C8H12NO6P
PTK: 249.1577
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
249.1577
Monoisotopic mass
249.040223633
InChI
InChI=1S/C8H12NO6P/c1-5-8(11)7(3-10)6(2-9-5)4-15-16(12,13)14/h2,10-11H,3-4H2,1H3,(H2,12,13,14)
InChI Key
InChIKey=WHOMFKWHIQZTHY-UHFFFAOYSA-N
IUPAC Name
{[5-hydroxy-4-(hydroxymethyl)-6-methylpyridin-3-yl]methoxy}phosphonic acid
Traditional IUPAC Name
[5-hydroxy-4-(hydroxymethyl)-6-methylpyridin-3-yl]methoxyphosphonic acid
SMILES
CC1=NC=C(COP(O)(O)=O)C(CO)=C1O
Độ hòa tan
9.41e+00 g/l
logP
-3.6
logS
-1.4
pKa (strongest acidic)
1.74
pKa (Strongest Basic)
5.55
PSA
120.11 Å2
Refractivity
54.98 m3·mol-1
Polarizability
21.72 Å3
Rotatable Bond Count
4
H Bond Acceptor Count
6
H Bond Donor Count
4
Physiological Charge
-2
Number of Rings
1
Bioavailability
1
Rule of Five
true
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
KEGG Compound
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