Tìm theo
2'-Deoxycytidine-5'-Monophosphate
Thuốc Gốc
Small Molecule
CAS: 1032-65-1
CTHH: C9H14N3O7P
PTK: 307.1971
Deoxycytidine (dihydrogen phosphate). A deoxycytosine nucleotide containing one phosphate group esterified to the deoxyribose moiety in the 2'-,3'- or 5- positions. [PubChem]
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C9H14N3O7P
Phân tử khối
307.1971
Monoisotopic mass
307.056936329
InChI
InChI=1S/C9H14N3O7P/c10-7-1-2-12(9(14)11-7)8-3-5(13)6(19-8)4-18-20(15,16)17/h1-2,5-6,8,13H,3-4H2,(H2,10,11,14)(H2,15,16,17)/t5-,6+,8-/m1/s1
InChI Key
InChIKey=NCMVOABPESMRCP-GKROBHDKSA-N
IUPAC Name
{[(2S,3R,5R)-5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy}phosphonic acid
Traditional IUPAC Name
[(2S,3R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxyphosphonic acid
SMILES
NC1=NC(=O)N(C=C1)[C@H]1C[C@@H](O)[C@H](COP(O)(O)=O)O1
Độ hòa tan
1.09e+01 g/l
logP
-2.6
logS
-1.4
pKa (strongest acidic)
1.26
pKa (Strongest Basic)
-0.12
PSA
154.91 Å2
Refractivity
63.91 m3·mol-1
Polarizability
26.2 Å3
Rotatable Bond Count
4
H Bond Acceptor Count
8
H Bond Donor Count
4
Physiological Charge
-2
Number of Rings
2
Bioavailability
1
Rule of Five
true
Tài Liệu Tham Khảo Thêm
drugbank
http://www.drugbank.ca/drugs/DB03798
PubChem Compound
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=6328614
PubChem Substance
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=46506941
KEGG Compound
http://www.genome.jp/dbget-bin/www_bget?cpd:C00239
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