5'-deoxy-5'-piperidin-1-ylthymidine
Thuốc Gốc
Small Molecule
CTHH: C15H23N3O4
PTK: 309.3608
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
309.3608
Monoisotopic mass
309.168856239
InChI
InChI=1S/C15H23N3O4/c1-10-8-18(15(21)16-14(10)20)13-7-11(19)12(22-13)9-17-5-3-2-4-6-17/h8,11-13,19H,2-7,9H2,1H3,(H,16,20,21)/t11-,12+,13+/m0/s1
InChI Key
InChIKey=GMOUOGHZJCSNOZ-YNEHKIRRSA-N
IUPAC Name
1-[(2R,4S,5R)-4-hydroxy-5-(piperidin-1-ylmethyl)oxolan-2-yl]-5-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione
Traditional IUPAC Name
1-[(2R,4S,5R)-4-hydroxy-5-(piperidin-1-ylmethyl)oxolan-2-yl]-5-methyl-3H-pyrimidine-2,4-dione
SMILES
[H][C@]1(O)C[C@@]([H])(O[C@]1([H])CN1CCCCC1)N1C=C(C)C(=O)NC1=O
Độ hòa tan
2.55e+01 g/l
logP
0.23
logS
-1.1
pKa (strongest acidic)
9.98
pKa (Strongest Basic)
8.66
PSA
82.11 Å2
Refractivity
79.28 m3·mol-1
Polarizability
32.59 Å3
Rotatable Bond Count
3
H Bond Acceptor Count
5
H Bond Donor Count
2
Physiological Charge
1
Number of Rings
3
Bioavailability
1
Rule of Five
true
Ghose Filter
true
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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