1-(2,5-dideoxy-5-pyrrolidin-1-yl-beta-L-erythro-pentofuranosyl)-5-methylpyrimidine-2,4(1H,3H)-dione
Thuốc Gốc
Small Molecule
CTHH: C14H21N3O4
PTK: 295.3342
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C14H21N3O4
Phân tử khối
295.3342
Monoisotopic mass
295.153206175
InChI
InChI=1S/C14H21N3O4/c1-9-7-17(14(20)15-13(9)19)12-6-10(18)11(21-12)8-16-4-2-3-5-16/h7,10-12,18H,2-6,8H2,1H3,(H,15,19,20)/t10-,11+,12+/m1/s1
InChI Key
InChIKey=XUSBTLVYPZUOAW-WOPDTQHZSA-N
IUPAC Name
1-[(2S,4R,5S)-4-hydroxy-5-(pyrrolidin-1-ylmethyl)oxolan-2-yl]-5-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione
Traditional IUPAC Name
1-[(2S,4R,5S)-4-hydroxy-5-(pyrrolidin-1-ylmethyl)oxolan-2-yl]-5-methyl-3H-pyrimidine-2,4-dione
SMILES
[H][C@@]1(O)C[C@]([H])(O[C@@]1([H])CN1CCCC1)N1C=C(C)C(=O)NC1=O
Độ hòa tan
3.99e+01 g/l
logP
-0.26
logS
-0.87
pKa (strongest acidic)
9.99
pKa (Strongest Basic)
8.78
PSA
82.11 Å2
Refractivity
74.68 m3·mol-1
Polarizability
30.16 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
Bạn thấy hài lòng ?
Bạn chưa hài lòng ?
... loading
... loading