Thymidine-5'- Diphosphate
Thuốc Gốc
Small Molecule
CTHH: C10H16N2O11P2
PTK: 402.1884
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C10H16N2O11P2
Phân tử khối
402.1884
Monoisotopic mass
402.022932388
InChI
InChI=1S/C10H16N2O11P2/c1-5-3-12(10(15)11-9(5)14)8-2-6(13)7(22-8)4-21-25(19,20)23-24(16,17)18/h3,6-8,13H,2,4H2,1H3,(H,19,20)(H,11,14,15)(H2,16,17,18)/t6-,7+,8-/m1/s1
InChI Key
InChIKey=UJLXYODCHAELLY-GJMOJQLCSA-N
IUPAC Name
{[hydroxy({[(2S,3R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)oxolan-2-yl]methoxy})phosphoryl]oxy}phosphonic acid
Traditional IUPAC Name
{hydroxy[(2S,3R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-3H-pyrimidin-1-yl)oxolan-2-yl]methoxyphosphoryl}oxyphosphonic acid
SMILES
CC1=CN([C@H]2C[C@@H](O)[C@H](CO[P@](O)(=O)OP(O)(O)=O)O2)C(=O)NC1=O
Độ hòa tan
6.94e+00 g/l
logP
-1.7
logS
-1.8
pKa (strongest acidic)
1.77
pKa (Strongest Basic)
-3.2
PSA
192.16 Å2
Refractivity
77.16 m3·mol-1
Polarizability
32.32 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
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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