Tìm theo
Deoxyuridine-5'-Diphosphate
Thuốc Gốc
Small Molecule
CTHH: C9H14N2O11P2
PTK: 388.1618
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C9H14N2O11P2
Phân tử khối
388.1618
Monoisotopic mass
388.007282324
InChI
InChI=1S/C9H14N2O11P2/c12-5-3-8(11-2-1-7(13)10-9(11)14)21-6(5)4-20-24(18,19)22-23(15,16)17/h1-2,5-6,8,12H,3-4H2,(H,18,19)(H,10,13,14)(H2,15,16,17)/t5-,6+,8-/m1/s1
InChI Key
InChIKey=QHWZTVCCBMIIKE-GKROBHDKSA-N
IUPAC Name
[({[(2S,3R,5R)-5-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]phosphonic acid
Traditional IUPAC Name
{[(2S,3R,5R)-5-(2,4-dioxo-3H-pyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy(hydroxy)phosphoryl}oxyphosphonic acid
SMILES
O[[email protected]@H]1C[[email protected]@H](O[[email protected]]1CO[[email protected]](O)(=O)OP(O)(O)=O)N1C=CC(=O)NC1=O
Độ hòa tan
8.03e+00 g/l
logP
-2.1
logS
-1.7
pKa (strongest acidic)
1.77
pKa (Strongest Basic)
-3.2
PSA
192.16 Å2
Refractivity
72.8 m3·mol-1
Polarizability
30.23 Å3
Rotatable Bond Count
6
H Bond Acceptor Count
9
H Bond Donor Count
5
Physiological Charge
-2
Number of Rings
2
Bioavailability
1
Rule of Five
true
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