Cytidine-2'-Monophosphate
Thuốc Gốc
Small Molecule
CAS: 85-94-9
CTHH: C9H14N3O8P
PTK: 323.1965
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C9H14N3O8P
Phân tử khối
323.1965
Monoisotopic mass
323.051850951
InChI
InChI=1S/C9H14N3O8P/c10-5-1-2-12(9(15)11-5)8-7(20-21(16,17)18)6(14)4(3-13)19-8/h1-2,4,6-8,13-14H,3H2,(H2,10,11,15)(H2,16,17,18)/t4-,6-,7+,8+/m0/s1
InChI Key
InChIKey=YQUAKORMLHPSLZ-ZAKLUEHWSA-N
IUPAC Name
{[(2R,3R,4S,5S)-2-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]oxy}phosphonic acid
Traditional IUPAC Name
[(2R,3R,4S,5S)-2-(4-amino-2-oxopyrimidin-1-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]oxyphosphonic acid
SMILES
NC1=NC(=O)N(C=C1)[C@@H]1O[C@@H](CO)[C@H](O)[C@H]1OP(O)(O)=O
Độ hòa tan
1.74e+01 g/l
logP
-3.5
logS
-1.3
pKa (strongest acidic)
0.75
pKa (Strongest Basic)
-0.65
PSA
175.14 Å2
Refractivity
65.42 m3·mol-1
Polarizability
26.93 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
pKa
0.8
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
KEGG Compound
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