8-Bromo-Adenosine-5'-Monophosphate
Thuốc Gốc
Small Molecule
CTHH: C10H13BrN5O7P
PTK: 426.117
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C10H13BrN5O7P
Phân tử khối
426.117
Monoisotopic mass
424.973596954
InChI
InChI=1S/C10H13BrN5O7P/c11-10-15-4-7(12)13-2-14-8(4)16(10)9-6(18)5(17)3(23-9)1-22-24(19,20)21/h2-3,5-6,9,17-18H,1H2,(H2,12,13,14)(H2,19,20,21)/t3-,5-,6+,9+/m0/s1
InChI Key
InChIKey=DNPIJKNXFSPNNY-BZKDHIKHSA-N
IUPAC Name
{[(2S,3R,4R,5R)-5-(6-amino-8-bromo-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}phosphonic acid
Traditional IUPAC Name
[(2S,3R,4R,5R)-5-(6-amino-8-bromopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxyphosphonic acid
SMILES
NC1=NC=NC2=C1N=C(Br)N2[C@@H]1O[C@@H](COP(O)(O)=O)[C@H](O)[C@H]1O
Độ hòa tan
3.26e+00 g/l
logP
-3.7
logS
-2.1
pKa (strongest acidic)
1.22
pKa (Strongest Basic)
4
PSA
186.07 Å2
Refractivity
81.69 m3·mol-1
Polarizability
32.87 Å3
Rotatable Bond Count
4
H Bond Acceptor Count
10
H Bond Donor Count
5
Physiological Charge
-2
Number of Rings
3
Bioavailability
1
Rule of Five
true
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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