Sp-Adenosine-3',5'-Cyclic-Monophosphorothioate
Thuốc Gốc
Small Molecule
CTHH: C10H12N5O5PS
PTK: 345.272
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
345.272
Monoisotopic mass
345.029675721
InChI
InChI=1S/C10H12N5O5PS/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(16)7-4(19-10)1-18-21(17,22)20-7/h2-4,6-7,10,16H,1H2,(H,17,22)(H2,11,12,13)/t4-,6+,7+,10+,21+/m1/s1
InChI Key
InChIKey=SMPNJFHAPJOHPP-BTQOAJACSA-N
IUPAC Name
(2S,4aR,6S,7S,7aR)-6-(6-amino-9H-purin-9-yl)-2,7-dihydroxy-hexahydro-1,3,5,2$l^{5}-furo[3,2-d][1,3,2$l^{5}]dioxaphosphinine-2-thione
Traditional IUPAC Name
(2S,4aR,6S,7S,7aR)-6-(6-aminopurin-9-yl)-2,7-dihydroxy-tetrahydro-4H-1,3,5,2$l^{5}-furo[3,2-d][1,3,2$l^{5}]dioxaphosphinine-2-thione
SMILES
NC1=NC=NC2=C1N=CN2[C@H]1O[C@@H]2CO[P@](O)(=S)O[C@@H]2[C@@H]1O
Độ hòa tan
1.84e+00 g/l
logP
-2.9
logS
-2.3
pKa (strongest acidic)
1.89
pKa (Strongest Basic)
4.99
PSA
137.77 Å2
Refractivity
78.28 m3·mol-1
Polarizability
30.53 Å3
Rotatable Bond Count
1
H Bond Acceptor Count
7
H Bond Donor Count
3
Physiological Charge
-1
Number of Rings
4
Bioavailability
1
Rule of Five
true
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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