Phosphoric Acid Mono-[3-Amino-5-(5-Methyl-2,4-Dioxo-3,4-Dihydro-2h-Pyrimidin-1-Yl)-Tetrahydro-Furan-
Thuốc Gốc
Small Molecule
CTHH: C10H16N3O7P
PTK: 321.2237
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C10H16N3O7P
Phân tử khối
321.2237
Monoisotopic mass
321.072586393
InChI
InChI=1S/C10H16N3O7P/c1-5-3-13(10(15)12-9(5)14)8-2-6(11)7(20-8)4-19-21(16,17)18/h3,6-8H,2,4,11H2,1H3,(H,12,14,15)(H2,16,17,18)/t6-,7+,8-/m1/s1
InChI Key
InChIKey=BQZMHQZNZNBJNF-GJMOJQLCSA-N
IUPAC Name
{[(2R,3R,5R)-3-amino-5-(5-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)oxolan-2-yl]methoxy}phosphonic acid
Traditional IUPAC Name
[(2R,3R,5R)-3-amino-5-(5-methyl-2,4-dioxo-3H-pyrimidin-1-yl)oxolan-2-yl]methoxyphosphonic acid
SMILES
CC1=CN([C@H]2C[C@@H](N)[C@H](COP(O)(O)=O)O2)C(=O)NC1=O
Độ hòa tan
5.61e+00 g/l
logP
-2.4
logS
-1.8
pKa (strongest acidic)
1.26
pKa (Strongest Basic)
9.12
PSA
151.42 Å2
Refractivity
67.94 m3·mol-1
Polarizability
28.17 Å3
Rotatable Bond Count
4
H Bond Acceptor Count
7
H Bond Donor Count
4
Physiological Charge
-1
Number of Rings
2
Bioavailability
1
Rule of Five
true
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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