Tìm theo
9-Deazainosine
Thuốc Gốc
Small Molecule
CAS: 89458-19-5
CTHH: C11H12N3O5
PTK: 266.2301
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C11H12N3O5
Phân tử khối
266.2301
Monoisotopic mass
266.077695509
InChI
InChI=1S/C11H12N3O5/c15-2-5-8(16)9(17)10(19-5)4-1-12-7-6(4)13-3-14-11(7)18/h1,3,5,8-10,15-17H,2H2,(H,13,14,18)/t5-,8-,9+,10-/m0/s1
InChI Key
InChIKey=GPJICFPVOAERJL-RAWIJENESA-N
IUPAC Name
7-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrrolo[3,2-d]pyrimidin-4-one
Traditional IUPAC Name
9-deazainosine
SMILES
OC[C@@H]1O[C@H]([C@H](O)[C@H]1O)c1cnc2c1N=CNC2=O
Độ hòa tan
8.10e+00 g/l
logP
-2.8
logS
-1.5
pKa (strongest acidic)
7.95
pKa (Strongest Basic)
-1.5
PSA
128.56 Å2
Refractivity
59.83 m3·mol-1
Polarizability
24.78 Å3
Rotatable Bond Count
2
H Bond Acceptor Count
7
H Bond Donor Count
4
Physiological Charge
0
Number of Rings
3
Bioavailability
1
Rule of Five
true
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