Adenosine-2'-5'-Diphosphate
Thuốc Gốc
Small Molecule
CTHH: C10H15N5O10P2
PTK: 427.2011
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
427.2011
Monoisotopic mass
427.029414749
InChI
InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(25-27(20,21)22)6(16)4(24-10)1-23-26(17,18)19/h2-4,6-7,10,16H,1H2,(H2,11,12,13)(H2,17,18,19)(H2,20,21,22)/t4-,6-,7+,10+/m0/s1
InChI Key
InChIKey=AEOBEOJCBAYXBA-FCIPNVEPSA-N
IUPAC Name
{[(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3-hydroxy-4-(phosphonooxy)oxolan-2-yl]methoxy}phosphonic acid
Traditional IUPAC Name
[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-4-(phosphonooxy)oxolan-2-yl]methoxyphosphonic acid
SMILES
NC1=NC=NC2=C1N=CN2[C@@H]1O[C@@H](COP(O)(O)=O)[C@H](O)[C@H]1OP(O)(O)=O
Độ hòa tan
3.29e+00 g/l
logP
-6.2
logS
-2.1
pKa (strongest acidic)
0.58
pKa (Strongest Basic)
4.89
PSA
232.6 Å2
Refractivity
84.94 m3·mol-1
Polarizability
34.02 Å3
Rotatable Bond Count
6
H Bond Acceptor Count
12
H Bond Donor Count
6
Physiological Charge
-4
Number of Rings
3
Bioavailability
0
MDDR-Like Rule
true
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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