1-{(2S,5S)-4-FLUORO-5-[(TRITYLOXY)METHYL]TETRAHYDROFURAN-2-YL}PYRIMIDINE-2,4(1H,3H)-DIONE
Thuốc Gốc
Small Molecule
CTHH: C28H25FN2O4
PTK: 472.5075
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
472.5075
Monoisotopic mass
472.179835503
InChI
InChI=1S/C28H25FN2O4/c29-23-18-26(31-17-16-25(32)30-27(31)33)35-24(23)19-34-28(20-10-4-1-5-11-20,21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-17,23-24,26H,18-19H2,(H,30,32,33)/t23-,24+,26+/m0/s1
InChI Key
InChIKey=GJNIPWYJQUGERM-BFLUCZKCSA-N
IUPAC Name
1-[(2R,4S,5R)-4-fluoro-5-[(triphenylmethoxy)methyl]oxolan-2-yl]-1,2,3,4-tetrahydropyrimidine-2,4-dione
Traditional IUPAC Name
1-[(2R,4S,5R)-4-fluoro-5-[(triphenylmethoxy)methyl]oxolan-2-yl]-3H-pyrimidine-2,4-dione
SMILES
[H][C@]1(F)C[C@@]([H])(O[C@]1([H])COC(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1)N1C=CC(=O)NC1=O
Độ hòa tan
1.17e-03 g/l
logP
5.18
logS
-5.6
pKa (strongest acidic)
9.46
pKa (Strongest Basic)
-4
PSA
67.87 Å2
Refractivity
129.16 m3·mol-1
Polarizability
48.78 Å3
Rotatable Bond Count
7
H Bond Acceptor Count
4
H Bond Donor Count
1
Physiological Charge
0
Number of Rings
5
Bioavailability
1
Ghose Filter
true
MDDR-Like Rule
true
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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