5-Methylcytidine-5'-Monophosphate
Thuốc Gốc
Small Molecule
CTHH: C10H16N3O8P
PTK: 337.2231
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
337.2231
Monoisotopic mass
337.067501015
InChI
InChI=1S/C10H16N3O8P/c1-4-2-13(10(16)12-8(4)11)9-7(15)6(14)5(21-9)3-20-22(17,18)19/h2,5-7,9,14-15H,3H2,1H3,(H2,11,12,16)(H2,17,18,19)/t5-,6-,7+,9+/m0/s1
InChI Key
InChIKey=NJQONZSFUKNYOY-XZMZPDFPSA-N
IUPAC Name
{[(2S,3R,4R,5R)-5-(4-amino-5-methyl-2-oxo-1,2-dihydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}phosphonic acid
Traditional IUPAC Name
[(2S,3R,4R,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxyphosphonic acid
SMILES
CC1=CN([C@@H]2O[C@@H](COP(O)(O)=O)[C@H](O)[C@H]2O)C(=O)N=C1N
Độ hòa tan
1.53e+01 g/l
logP
-3.1
logS
-1.3
pKa (strongest acidic)
1.24
pKa (Strongest Basic)
-0.22
PSA
175.14 Å2
Refractivity
69.77 m3·mol-1
Polarizability
29.01 Å3
Rotatable Bond Count
4
H Bond Acceptor Count
9
H Bond Donor Count
5
Physiological Charge
-2
Number of Rings
2
Bioavailability
1
Rule of Five
true
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
Bạn thấy hài lòng ?
Bạn chưa hài lòng ?
... loading
... loading