Guanosine-2',3'-Cyclophosphorothioate
Thuốc Gốc
Small Molecule
CTHH: C10H12N5O6PS
PTK: 361.271
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C10H12N5O6PS
Phân tử khối
361.271
Monoisotopic mass
361.024590343
InChI
InChI=1S/C10H12N5O6PS/c11-10-13-7-4(8(17)14-10)12-2-15(7)9-6-5(3(1-16)19-9)20-22(18,23)21-6/h2-3,5-6,9,16H,1H2,(H,18,23)(H3,11,13,14,17)/t3-,5+,6+,9+,22+/m1/s1
InChI Key
InChIKey=QZEROIIFJLCOOE-PDBXSDAOSA-N
IUPAC Name
9-[(2S,3aS,4S,6R,6aS)-2-hydroxy-6-(hydroxymethyl)-2-sulfanylidene-tetrahydro-2H-1,3,5,2$l^{5}-furo[3,4-d][1,3,2$l^{5}]dioxaphosphol-4-yl]-2-amino-6,9-dihydro-1H-purin-6-one
Traditional IUPAC Name
9-[(2S,3aS,4S,6R,6aS)-2-hydroxy-6-(hydroxymethyl)-2-sulfanylidene-tetrahydro-1,3,5,2$l^{5}-furo[3,4-d][1,3,2$l^{5}]dioxaphosphol-4-yl]-2-amino-1H-purin-6-one
SMILES
NC1=NC2=C(N=CN2[C@H]2O[C@H](CO)[C@@H]3O[P@](O)(=S)O[C@H]23)C(=O)N1
Độ hòa tan
2.38e+00 g/l
logP
-1.2
logS
-2.2
pKa (strongest acidic)
2.04
pKa (Strongest Basic)
1.41
PSA
153.45 Å2
Refractivity
79.71 m3·mol-1
Polarizability
31.18 Å3
Rotatable Bond Count
2
H Bond Acceptor Count
7
H Bond Donor Count
4
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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