2-Amino-7-[2-(2-Hydroxy-1-Hydroxymethyl-Ethylamino)-Ethyl]-1,7-Dihydro-Purin-6-One
Thuốc Gốc
Small Molecule
CTHH: C10H16N6O3
PTK: 268.2724
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C10H16N6O3
Phân tử khối
268.2724
Monoisotopic mass
268.128388408
InChI
InChI=1S/C10H16N6O3/c11-10-14-8-7(9(19)15-10)16(5-13-8)2-1-12-6(3-17)4-18/h5-6,12,17-18H,1-4H2,(H3,11,14,15,19)
InChI Key
InChIKey=XYCDSKWPYZSIDU-UHFFFAOYSA-N
IUPAC Name
2-amino-7-{2-[(1,3-dihydroxypropan-2-yl)amino]ethyl}-6,7-dihydro-1H-purin-6-one
Traditional IUPAC Name
2-amino-7-{2-[(1,3-dihydroxypropan-2-yl)amino]ethyl}-1H-purin-6-one
SMILES
NC1=NC2=C(N(CCNC(CO)CO)C=N2)C(=O)N1
Độ hòa tan
8.59e+00 g/l
logP
-2.7
logS
-1.5
pKa (strongest acidic)
10.72
pKa (Strongest Basic)
8.77
PSA
137.79 Å2
Refractivity
69.21 m3·mol-1
Polarizability
26.24 Å3
Rotatable Bond Count
6
H Bond Acceptor Count
7
H Bond Donor Count
5
Physiological Charge
1
Number of Rings
2
Bioavailability
1
Rule of Five
true
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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