7-Alpha-D-Ribofuranosyl-Purine-5'-Phosphate
Thuốc Gốc
Small Molecule
CTHH: C10H13N4O7P
PTK: 332.2066
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C10H13N4O7P
Phân tử khối
332.2066
Monoisotopic mass
332.052185302
InChI
InChI=1S/C10H13N4O7P/c15-7-6(2-20-22(17,18)19)21-10(8(7)16)14-4-13-9-5(14)1-11-3-12-9/h1,3-4,6-8,10,15-16H,2H2,(H2,17,18,19)/t6-,7-,8+,10+/m0/s1
InChI Key
InChIKey=NICKPTPNIMHUHB-QHOPCYEYSA-N
IUPAC Name
{[(2S,3R,4R,5R)-3,4-dihydroxy-5-(7H-purin-7-yl)oxolan-2-yl]methoxy}phosphonic acid
Traditional IUPAC Name
[(2S,3R,4R,5R)-3,4-dihydroxy-5-(purin-7-yl)oxolan-2-yl]methoxyphosphonic acid
SMILES
O[C@H]1[C@H](COP(O)(O)=O)O[C@H]([C@@H]1O)N1C=NC2=C1C=NC=N2
Độ hòa tan
3.28e+00 g/l
logP
-4.4
logS
-2
pKa (strongest acidic)
1.23
pKa (Strongest Basic)
4.14
PSA
160.05 Å2
Refractivity
70.67 m3·mol-1
Polarizability
28.01 Å3
Rotatable Bond Count
4
H Bond Acceptor Count
9
H Bond Donor Count
4
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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