Tìm theo
7-Alpha-D-Ribofuranosyl-2-Aminopurine-5'-Phosphate
Thuốc Gốc
Small Molecule
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/c11-10-12-1-4-8(14-10)13-3-15(4)9-7(17)6(16)5(22-9)2-21-23(18,19)20/h1,3,5-7,9,16-17H,2H2,(H2,11,12,14)(H2,18,19,20)/t5-,6-,7+,9+/m0/s1
InChI Key
InChIKey=UDRQVOJQMHZSIM-XZMZPDFPSA-N
IUPAC Name
{[(2S,3R,4R,5R)-5-(2-amino-7H-purin-7-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}phosphonic acid
Traditional IUPAC Name
[(2S,3R,4R,5R)-5-(2-aminopurin-7-yl)-3,4-dihydroxyoxolan-2-yl]methoxyphosphonic acid
SMILES
NC1=NC=C2N(C=NC2=N1)[[email protected]@H]1O[[email protected]@H](COP(O)(O)=O)[[email protected]](O)[[email protected]]1O
Độ hòa tan
3.26e+00 g/l
logP
-4.7
logS
-2
pKa (strongest acidic)
1.23
pKa (Strongest Basic)
5.17
PSA
186.07 Å2
Refractivity
75.32 m3·mol-1
Polarizability
29.73 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
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