2'-Deoxycytidine-5'-Triphosphate
Thuốc Gốc
Small Molecule
CAS: 2056-98-6
CTHH: C9H16N3O13P3
PTK: 467.1569
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C9H16N3O13P3
Phân tử khối
467.1569
Monoisotopic mass
466.989597149
InChI
InChI=1S/C9H16N3O13P3/c10-7-1-2-12(9(14)11-7)8-3-5(13)6(23-8)4-22-27(18,19)25-28(20,21)24-26(15,16)17/h1-2,5-6,8,13H,3-4H2,(H,18,19)(H,20,21)(H2,10,11,14)(H2,15,16,17)/t5-,6+,8-/m1/s1
InChI Key
InChIKey=RGWHQCVHVJXOKC-GKROBHDKSA-N
IUPAC Name
({[({[(2S,3R,5R)-5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)phosphonic acid
Traditional IUPAC Name
({[(2S,3R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy(hydroxy)phosphoryl}oxy(hydroxy)phosphoryl)oxyphosphonic acid
SMILES
NC1=NC(=O)N(C=C1)[C@H]1C[C@@H](O)[C@H](CO[P@@](O)(=O)O[P@](O)(=O)OP(O)(O)=O)O1
Độ hòa tan
1.18e+01 g/l
logP
-3.6
logS
-1.6
pKa (strongest acidic)
0.95
pKa (Strongest Basic)
-0.05
PSA
247.97 Å2
Refractivity
85.65 m3·mol-1
Polarizability
35.29 Å3
Rotatable Bond Count
8
H Bond Acceptor Count
12
H Bond Donor Count
6
Physiological Charge
-3
Number of Rings
2
Bioavailability
0
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
KEGG Compound
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