Fudp
Thuốc Gốc
Small Molecule
CTHH: C9H13FN2O10P2
PTK: 390.1528
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C9H13FN2O10P2
Phân tử khối
390.1528
Monoisotopic mass
390.002945875
InChI
InChI=1S/C9H13FN2O10P2/c10-5-3-8(12-2-1-7(13)11-9(12)14)21-6(5)4-20-24(18,19)22-23(15,16)17/h1-2,5-6,8H,3-4H2,(H,18,19)(H,11,13,14)(H2,15,16,17)/t5-,6+,8-/m0/s1
InChI Key
InChIKey=WLQBZMZTRNPUDL-BBVRLYRLSA-N
IUPAC Name
[({[(2R,3S,5S)-5-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-3-fluorooxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]phosphonic acid
Traditional IUPAC Name
{[(2R,3S,5S)-5-(2,4-dioxo-3H-pyrimidin-1-yl)-3-fluorooxolan-2-yl]methoxy(hydroxy)phosphoryl}oxyphosphonic acid
SMILES
OP(O)(=O)O[P@@](O)(=O)OC[C@H]1O[C@@H](C[C@@H]1F)N1C=CC(=O)NC1=O
Độ hòa tan
8.13e+00 g/l
logP
-1.2
logS
-1.7
pKa (strongest acidic)
1.77
pKa (Strongest Basic)
-4.3
PSA
171.93 Å2
Refractivity
71.11 m3·mol-1
Polarizability
29.85 Å3
Rotatable Bond Count
6
H Bond Acceptor Count
8
H Bond Donor Count
4
Physiological Charge
-2
Number of Rings
2
Bioavailability
1
Rule of Five
true
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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