2'-Deoxyguanosine-5'-Monophosphate
Thuốc Gốc
Small Molecule
CAS: 902-04-5
CTHH: C10H14N5O7P
PTK: 347.2212
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C10H14N5O7P
Phân tử khối
347.2212
Monoisotopic mass
347.063084339
InChI
InChI=1S/C10H14N5O7P/c11-10-13-8-7(9(17)14-10)12-3-15(8)6-1-4(16)5(22-6)2-21-23(18,19)20/h3-6,16H,1-2H2,(H2,18,19,20)(H3,11,13,14,17)/t4-,5+,6+/m0/s1
InChI Key
InChIKey=LTFMZDNNPPEQNG-KVQBGUIXSA-N
IUPAC Name
{[(2R,3S,5R)-5-(2-amino-6-oxo-6,9-dihydro-3H-purin-9-yl)-3-hydroxyoxolan-2-yl]methoxy}phosphonic acid
Traditional IUPAC Name
[(2R,3S,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3-hydroxyoxolan-2-yl]methoxyphosphonic acid
SMILES
NC1=NC(=O)C2=C(N1)N(C=N2)[C@H]1C[C@H](O)[C@@H](COP(O)(O)=O)O1
Độ hòa tan
2.67e+00 g/l
logP
-2.8
logS
-2.1
pKa (strongest acidic)
1.21
pKa (Strongest Basic)
2.62
PSA
181.52 Å2
Refractivity
73.55 m3·mol-1
Polarizability
29.86 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
KEGG Compound
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