Tìm theo
cyclic 3',5'-thymidine monophosphate
Các tên gọi khác (7 ) :
  • 2',3'-dehydro-2',3'-deoxy-thymidine 5'-monophosphate
  • 2',3'-dideoxy-2',3-didehydrothymidine 5'-monophosphate
  • 3',5'-Cyclic dtmp
  • cTMP
  • Cyclic tmp
  • D4T-MP
  • d4TMP
Thuốc Gốc
Small Molecule
CTHH: C10H13N2O7P
PTK: 304.1932
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C10H13N2O7P
Phân tử khối
304.1932
Monoisotopic mass
304.046037292
InChI
InChI=1S/C10H13N2O7P/c1-6-4-12(10(14)11-9(6)13)8-3-2-7(19-8)5-18-20(15,16)17/h2-4,7-8H,5H2,1H3,(H,11,13,14)(H2,15,16,17)/t7-,8+/m0/s1
InChI Key
InChIKey=XLPGURCDSRIXFL-JGVFFNPUSA-N
IUPAC Name
{[(2S,5R)-5-(5-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methoxy}phosphonic acid
Traditional IUPAC Name
[(2S,5R)-5-(5-methyl-2,4-dioxo-3H-pyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methoxyphosphonic acid
SMILES
[H][C@]1(COP(O)(O)=O)O[C@]([H])(C=C1)N1C=C(C)C(=O)NC1=O
Độ hòa tan
4.64e+00 g/l
logP
-0.36
logS
-1.8
pKa (strongest acidic)
1.24
pKa (Strongest Basic)
-4.2
PSA
125.4 Å2
Refractivity
66.19 m3·mol-1
Polarizability
25.93 Å3
Rotatable Bond Count
4
H Bond Acceptor Count
6
H Bond Donor Count
3
Physiological Charge
-2
Number of Rings
2
Bioavailability
1
Rule of Five
true
Ghose Filter
true
Tài Liệu Tham Khảo Thêm
drugbank
http://www.drugbank.ca/drugs/DB04672
PubChem Compound
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=461278
PubChem Substance
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=46508608
ChemSpider
http://www.chemspider.com/Chemical-Structure.405848.html
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