6-Chloropurine Riboside, 5'-Monophosphate
Thuốc Gốc
Small Molecule
CTHH: C10H13ClN4O7P
PTK: 367.66
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C10H13ClN4O7P
Phân tử khối
367.66
Monoisotopic mass
367.021038009
InChI
InChI=1S/C10H12ClN4O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,18,19,20)/p+1/t4-,6-,7+,10+/m0/s1
InChI Key
InChIKey=ALOBOMYIOYNCBS-FCIPNVEPSA-O
IUPAC Name
6-chloro-9-[(2R,3R,4R,5S)-3,4-dihydroxy-5-[(phosphonooxy)methyl]oxolan-2-yl]-9H-purin-1-ium
Traditional IUPAC Name
6-chloro-9-[(2R,3R,4R,5S)-3,4-dihydroxy-5-[(phosphonooxy)methyl]oxolan-2-yl]purin-1-ium
SMILES
O[C@H]1[C@H](COP(O)(O)=O)O[C@H]([C@@H]1O)N1C=NC2=C1N=C[NH+]=C2Cl
Độ hòa tan
1.87e+00 g/l
logP
-2.7
logS
-2.3
pKa (strongest acidic)
1.16
pKa (Strongest Basic)
2.09
PSA
161.3 Å2
Refractivity
74.49 m3·mol-1
Polarizability
30.95 Å3
Rotatable Bond Count
4
H Bond Acceptor Count
8
H Bond Donor Count
5
Physiological Charge
-2
Number of Rings
3
Bioavailability
1
Rule of Five
true
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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