5-Hydroxymethyluridine-2'-Deoxy-5'-Monophosphate
Thuốc Gốc
Small Molecule
CTHH: C10H16N2O9P
PTK: 339.2158
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C10H16N2O9P
Phân tử khối
339.2158
Monoisotopic mass
339.059341632
InChI
InChI=1S/C10H16N2O9P/c13-3-5-2-12(10(16)11-9(5)15)8-1-6(14)7(21-8)4-20-22(17,18)19/h2,6-8,13-15H,1,3-4H2,(H,11,16)(H2,17,18,19)/t6-,7+,8-/m1/s1
InChI Key
InChIKey=LGIFWKAXIJLQPE-GJMOJQLCSA-N
IUPAC Name
{[(2S,3R,5R)-5-[2,4-dihydroxy-5-(hydroxymethyl)pyrimidin-1-yl]-3-hydroxyoxolan-2-yl]methoxy}phosphonic acid
Traditional IUPAC Name
[(2S,3R,5R)-5-[2,4-dihydroxy-5-(hydroxymethyl)pyrimidin-1-yl]-3-hydroxyoxolan-2-yl]methoxyphosphonic acid
SMILES
OCc1cn([C@H]2C[C@@H](O)[C@H](COP(O)(O)=O)O2)c(O)nc1O
Độ hòa tan
3.06e+00 g/l
logP
-0.7
logS
-2
pKa (strongest acidic)
1.23
pKa (Strongest Basic)
-2
PSA
174.73 Å2
Refractivity
69.88 m3·mol-1
Polarizability
29.06 Å3
Rotatable Bond Count
5
H Bond Acceptor Count
9
H Bond Donor Count
6
Physiological Charge
-2
Number of Rings
2
Bioavailability
1
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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