Tìm theo
2',3'-Dehydro-2',3'-Deoxy-Thymidine 5'-Triphosphate
Thuốc Gốc
Small Molecule
CTHH: C10H15N2O13P3
PTK: 464.153
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C10H15N2O13P3
Phân tử khối
464.153
Monoisotopic mass
463.978698112
InChI
InChI=1S/C10H15N2O13P3/c1-6-4-12(10(14)11-9(6)13)8-3-2-7(23-8)5-22-27(18,19)25-28(20,21)24-26(15,16)17/h2-4,7-8H,5H2,1H3,(H,18,19)(H,20,21)(H,11,13,14)(H2,15,16,17)/t7-,8+/m0/s1
InChI Key
InChIKey=ODSQODTUNULBHF-JGVFFNPUSA-N
IUPAC Name
{[hydroxy({[hydroxy({[(2S,5R)-5-(5-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methoxy})phosphoryl]oxy})phosphoryl]oxy}phosphonic acid
Traditional IUPAC Name
[hydroxy({hydroxy[(2S,5R)-5-(5-methyl-2,4-dioxo-3H-pyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methoxyphosphoryl}oxy)phosphoryl]oxyphosphonic acid
SMILES
CC1=CN([C@@H]2O[C@H](CO[P@@](O)(=O)O[P@](O)(=O)OP(O)(O)=O)C=C2)C(=O)NC1=O
Độ hòa tan
5.45e+00 g/l
logP
-1.2
logS
-1.9
pKa (strongest acidic)
0.9
pKa (Strongest Basic)
-4.2
PSA
218.46 Å2
Refractivity
87.93 m3·mol-1
Polarizability
34.33 Å3
Rotatable Bond Count
8
H Bond Acceptor Count
10
H Bond Donor Count
5
Physiological Charge
-3
Number of Rings
2
Bioavailability
1
Rule of Five
true
Tài Liệu Tham Khảo Thêm
drugbank
http://www.drugbank.ca/drugs/DB02887
PubChem Compound
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=65355
PubChem Substance
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=46508611
ChemSpider
http://www.chemspider.com/Chemical-Structure.2836.html
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