1-Beta-Ribofuranosyl-1,3-Diazepinone
Thuốc Gốc
Small Molecule
CTHH: C10H14N2O5
PTK: 242.2286
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C10H14N2O5
Phân tử khối
242.2286
Monoisotopic mass
242.090271568
InChI
InChI=1S/C10H14N2O5/c13-5-6-7(14)8(15)9(17-6)12-4-2-1-3-11-10(12)16/h1-4,6-9,13-15H,5H2,(H,11,16)/t6-,7-,8+,9+/m0/s1
InChI Key
InChIKey=MEPCJRCEYSZBDO-RBXMUDONSA-N
IUPAC Name
1-[(2R,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,3-dihydro-1H-1,3-diazepin-2-one
Traditional IUPAC Name
1-[(2R,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-1,3-diazepin-2-one
SMILES
OC[C@@H]1O[C@H]([C@H](O)[C@H]1O)N1C=CC=CNC1=O
Độ hòa tan
1.83e+02 g/l
logP
-2
logS
-0.12
pKa (strongest acidic)
10.29
pKa (Strongest Basic)
-3
PSA
102.26 Å2
Refractivity
57.26 m3·mol-1
Polarizability
22.73 Å3
Rotatable Bond Count
2
H Bond Acceptor Count
5
H Bond Donor Count
4
Physiological Charge
0
Number of Rings
2
Bioavailability
1
Rule of Five
true
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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