1-(5'-Phospho-Beta-D-Ribofuranosyl)Barbituric Acid
Thuốc Gốc
Small Molecule
CTHH: C9H13N2O10P
PTK: 340.1807
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C9H13N2O10P
Phân tử khối
340.1807
Monoisotopic mass
340.030781158
InChI
InChI=1S/C9H13N2O10P/c12-4-1-5(13)11(9(16)10-4)8-7(15)6(14)3(21-8)2-20-22(17,18)19/h3,6-8,14-15H,1-2H2,(H,10,12,16)(H2,17,18,19)/t3-,6-,7+,8+/m0/s1
InChI Key
InChIKey=AODYJUNLDJOADV-YHSFNTFWSA-N
IUPAC Name
{[(2S,3R,4R,5R)-3,4-dihydroxy-5-(2,4,6-trioxo-1,3-diazinan-1-yl)oxolan-2-yl]methoxy}phosphonic acid
Traditional IUPAC Name
[(2S,3R,4R,5R)-3,4-dihydroxy-5-(2,4,6-trioxo-1,3-diazinan-1-yl)oxolan-2-yl]methoxyphosphonic acid
SMILES
O[C@@H]1[C@@H](O)[C@@H](O[C@H]1COP(O)(O)=O)N1C(=O)CC(=O)NC1=O
Độ hòa tan
1.69e+01 g/l
logP
-3
logS
-1.3
pKa (strongest acidic)
1.22
pKa (Strongest Basic)
-3.7
PSA
182.93 Å2
Refractivity
63.44 m3·mol-1
Polarizability
27.26 Å3
Rotatable Bond Count
4
H Bond Acceptor Count
9
H Bond Donor Count
5
Physiological Charge
-3
Number of Rings
2
Bioavailability
1
Rule of Five
true
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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