4'-Deoxy-4'-Acetylyamino-Pyridoxal-5'-Phosphate
Thuốc Gốc
Small Molecule
CTHH: C10H15N2O8P
PTK: 322.2085
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C10H15N2O8P
Phân tử khối
322.2085
Monoisotopic mass
322.056601978
InChI
InChI=1S/C10H15N2O8P/c1-6-10(15)8(3-12-19-5-9(13)14)7(2-11-6)4-20-21(16,17)18/h2,12,15H,3-5H2,1H3,(H,13,14)(H2,16,17,18)
InChI Key
InChIKey=QYKRUCBLHROXCK-UHFFFAOYSA-N
IUPAC Name
2-{[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]oxy}acetic acid
Traditional IUPAC Name
{[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]oxy}acetic acid
SMILES
CC1=NC=C(COP(O)(O)=O)C(CNOCC(O)=O)=C1O
Độ hòa tan
1.91e+00 g/l
logP
-3.7
logS
-2.2
pKa (strongest acidic)
1.71
pKa (Strongest Basic)
4.99
PSA
158.44 Å2
Refractivity
79.46 m3·mol-1
Polarizability
27.92 Å3
Rotatable Bond Count
8
H Bond Acceptor Count
9
H Bond Donor Count
5
Physiological Charge
-3
Number of Rings
1
Bioavailability
1
Rule of Five
true
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
Bạn thấy hài lòng ?
Bạn chưa hài lòng ?
... loading
... loading