2'-Deoxyuridine 3'-Monophosphate
Thuốc Gốc
Small Molecule
CTHH: C9H13N2O8P
PTK: 308.1819
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C9H13N2O8P
Phân tử khối
308.1819
Monoisotopic mass
308.040951914
InChI
InChI=1S/C9H13N2O8P/c12-4-6-5(19-20(15,16)17)3-8(18-6)11-2-1-7(13)10-9(11)14/h1-2,5-6,8,12H,3-4H2,(H,10,13,14)(H2,15,16,17)/t5-,6+,8+/m0/s1
InChI Key
InChIKey=LXKGKXYIAAKOCT-SHYZEUOFSA-N
IUPAC Name
{[(2R,3S,5R)-5-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl]oxy}phosphonic acid
Traditional IUPAC Name
[(2R,3S,5R)-5-(2,4-dioxo-3H-pyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl]oxyphosphonic acid
SMILES
OC[C@H]1O[C@H](C[C@@H]1OP(O)(O)=O)N1C=CC(=O)NC1=O
Độ hòa tan
8.41e+00 g/l
logP
-1.6
logS
-1.6
pKa (strongest acidic)
1.09
pKa (Strongest Basic)
-3
PSA
145.63 Å2
Refractivity
61.93 m3·mol-1
Polarizability
25.63 Å3
Rotatable Bond Count
4
H Bond Acceptor Count
7
H Bond Donor Count
4
Physiological Charge
-2
Number of Rings
2
Bioavailability
1
Rule of Five
true
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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