GUANOSINE-2',3'-O-ETHYLIDENEPHOSPHONATE
Thuốc Gốc
Small Molecule
CTHH: C12H16N5O8P
PTK: 389.2579
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C12H16N5O8P
Phân tử khối
389.2579
Monoisotopic mass
389.073649025
InChI
InChI=1S/C12H16N5O8P/c13-12-15-9-6(10(19)16-12)14-3-17(9)11-8-7(4(1-18)23-11)24-5(25-8)2-26(20,21)22/h3-5,7-8,11,18H,1-2H2,(H2,20,21,22)(H3,13,15,16,19)/t4-,5-,7-,8-,11-/m1/s1
InChI Key
InChIKey=HYAPEMYRVFIHDJ-QWEIRQIHSA-N
IUPAC Name
{[(2R,3aR,4R,6R,6aR)-4-(2-amino-6-oxo-6,9-dihydro-3H-purin-9-yl)-6-(hydroxymethyl)-tetrahydro-2H-furo[3,4-d][1,3]dioxol-2-yl]methyl}phosphonic acid
Traditional IUPAC Name
[(2R,3aR,4R,6R,6aR)-4-(2-amino-6-oxo-3H-purin-9-yl)-6-(hydroxymethyl)-tetrahydro-2H-furo[3,4-d][1,3]dioxol-2-yl]methylphosphonic acid
SMILES
NC1=NC(=O)C2=C(N1)N(C=N2)[C@@H]1O[C@H](CO)[C@H]2O[C@@H](CP(O)(O)=O)O[C@@H]12
Độ hòa tan
3.45e+00 g/l
logP
-3.3
logS
-2
pKa (strongest acidic)
1.67
pKa (Strongest Basic)
2.64
PSA
190.75 Å2
Refractivity
81.79 m3·mol-1
Polarizability
33.78 Å3
Rotatable Bond Count
4
H Bond Acceptor Count
12
H Bond Donor Count
5
Physiological Charge
-1
Number of Rings
4
Bioavailability
1
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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