Dpb-T
Thuốc Gốc
Small Molecule
CTHH: C17H19N2O8P
PTK: 410.3151
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
410.3151
Monoisotopic mass
410.087902106
InChI
InChI=1S/C17H19N2O8P/c1-10-8-19(16(21)18-15(10)20)14-7-12-13(26-14)9-25-17(27-12,28(22,23)24)11-5-3-2-4-6-11/h2-6,8,12-14H,7,9H2,1H3,(H,18,20,21)(H2,22,23,24)/t12-,13-,14-,17-/m0/s1
InChI Key
InChIKey=WTZFKHNHHRPQOU-WSMBLCCSSA-N
IUPAC Name
[(2S,4aS,6S,7aS)-6-(5-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-2-phenyl-hexahydrofuro[3,2-d][1,3]dioxin-2-yl]phosphonic acid
Traditional IUPAC Name
(2S,4aS,6S,7aS)-6-(5-methyl-2,4-dioxo-3H-pyrimidin-1-yl)-2-phenyl-tetrahydro-4H-furo[3,2-d][1,3]dioxin-2-ylphosphonic acid
SMILES
[H][C@]1(C[C@]2([H])O[C@@](OC[C@]2([H])O1)(C1=CC=CC=C1)P(O)(O)=O)N1C=C(C)C(=O)NC1=O
Độ hòa tan
4.43e+00 g/l
logP
0.97
logS
-2
pKa (strongest acidic)
0.65
pKa (Strongest Basic)
-3.9
PSA
134.63 Å2
Refractivity
93.93 m3·mol-1
Polarizability
35.97 Å3
Rotatable Bond Count
3
H Bond Acceptor Count
8
H Bond Donor Count
3
Physiological Charge
-1
Number of Rings
4
Bioavailability
1
Rule of Five
true
Ghose Filter
true
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
Bạn thấy hài lòng ?
Bạn chưa hài lòng ?
... loading
... loading