PUROMYCIN AMINONUCLEOSIDE-5'-MONOPHOSPHATE
Thuốc Gốc
Small Molecule
CTHH: C12H19N6O6P
PTK: 374.2896
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C12H19N6O6P
Phân tử khối
374.2896
Monoisotopic mass
374.110368882
InChI
InChI=1S/C12H19N6O6P/c1-17(2)10-8-11(15-4-14-10)18(5-16-8)12-9(19)7(13)6(24-12)3-23-25(20,21)22/h4-7,9,12,19H,3,13H2,1-2H3,(H2,20,21,22)/t6-,7-,9-,12-/m1/s1
InChI Key
InChIKey=BFPIKGKMRKBBBF-GRIPGOBMSA-N
IUPAC Name
{[(2S,3S,4R,5R)-3-amino-5-[6-(dimethylamino)-9H-purin-9-yl]-4-hydroxyoxolan-2-yl]methoxy}phosphonic acid
Traditional IUPAC Name
[(2S,3S,4R,5R)-3-amino-5-[6-(dimethylamino)purin-9-yl]-4-hydroxyoxolan-2-yl]methoxyphosphonic acid
SMILES
CN(C)C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](N)[C@H]1O
Độ hòa tan
2.83e+00 g/l
logP
-2.6
logS
-2.1
pKa (strongest acidic)
1.26
pKa (Strongest Basic)
9.19
PSA
169.08 Å2
Refractivity
85.45 m3·mol-1
Polarizability
34.29 Å3
Rotatable Bond Count
5
H Bond Acceptor Count
10
H Bond Donor Count
4
Physiological Charge
-1
Number of Rings
3
Bioavailability
1
Rule of Five
true
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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