GUANOSINE-2',3'-O-METHYLIDENEPHOSPHONATE
Thuốc Gốc
Small Molecule
CTHH: C11H14N5O8P
PTK: 375.2313
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C11H14N5O8P
Phân tử khối
375.2313
Monoisotopic mass
375.057998961
InChI
InChI=1S/C11H14N5O8P/c12-10-14-7-4(8(18)15-10)13-2-16(7)9-6-5(3(1-17)22-9)23-11(24-6)25(19,20)21/h2-3,5-6,9,11,17H,1H2,(H2,19,20,21)(H3,12,14,15,18)/t3-,5-,6-,9-,11+/m1/s1
InChI Key
InChIKey=GKAPYWCOOQBBHV-KXSYMAMXSA-N
IUPAC Name
[(2S,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]phosphonic acid
Traditional IUPAC Name
(2S,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-ylphosphonic acid
SMILES
NC1=NC(=O)C2=C(N1)N(C=N2)[C@@H]1O[C@H](CO)[C@H]2O[C@@H](O[C@@H]12)P(O)(O)=O
Độ hòa tan
3.53e+00 g/l
logP
-3
logS
-2
pKa (strongest acidic)
0.8
pKa (Strongest Basic)
2.59
PSA
190.75 Å2
Refractivity
77.51 m3·mol-1
Polarizability
31.93 Å3
Rotatable Bond Count
3
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
Bạn thấy hài lòng ?
Bạn chưa hài lòng ?
... loading
... loading