Tìm theo
Inosinic Acid
Thuốc Gốc
Small Molecule
CAS: 131-99-7
CTHH: C10H13N4O8P
PTK: 348.206
Inosine 5'-Monophosphate. A purine nucleotide which has hypoxanthine as the base and one phosphate group esterified to the sugar moiety. [PubChem]
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C10H13N4O8P
Phân tử khối
348.206
Monoisotopic mass
348.047099924
InChI
InChI=1S/C10H13N4O8P/c15-6-4(1-21-23(18,19)20)22-10(7(6)16)14-3-13-5-8(14)11-2-12-9(5)17/h2-4,6-7,10,15-16H,1H2,(H,11,12,17)(H2,18,19,20)/t4-,6-,7+,10+/m0/s1
InChI Key
InChIKey=GRSZFWQUAKGDAV-FCIPNVEPSA-N
IUPAC Name
{[(2S,3R,4R,5R)-3,4-dihydroxy-5-(6-oxo-6,9-dihydro-1H-purin-9-yl)oxolan-2-yl]methoxy}phosphonic acid
Traditional IUPAC Name
[(2S,3R,4R,5R)-3,4-dihydroxy-5-(6-oxo-1H-purin-9-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=C1N=CNC2=O
Độ hòa tan
3.05e+00 g/l
logP
-2.9
logS
-2.1
pKa (strongest acidic)
1.32
pKa (Strongest Basic)
0.51
PSA
175.73 Å2
Refractivity
72.2 m3·mol-1
Polarizability
29.13 Å3
Rotatable Bond Count
4
H Bond Acceptor Count
9
H Bond Donor Count
5
Physiological Charge
-2
Number of Rings
3
Bioavailability
1
Rule of Five
true
pKa
2.4
Tài Liệu Tham Khảo Thêm
drugbank
http://www.drugbank.ca/drugs/DB04566
PubChem Compound
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=5745915
PubChem Substance
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=46504691
KEGG Compound
http://www.genome.jp/dbget-bin/www_bget?cpd:C00130
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