Tìm theo
Cytidine-5'-Triphosphate
Thuốc Gốc
Small Molecule
CAS: 65-47-4
CTHH: C9H16N3O14P3
PTK: 483.1563
Cytidine 5'-(tetrahydrogen triphosphate). A cytosine nucleotide containing three phosphate groups esterified to the sugar moiety. [PubChem]
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C9H16N3O14P3
Phân tử khối
483.1563
Monoisotopic mass
482.984511771
InChI
InChI=1S/C9H16N3O14P3/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(24-8)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,21,22)(H2,10,11,15)(H2,16,17,18)/t4-,6-,7+,8+/m0/s1
InChI Key
InChIKey=PCDQPRRSZKQHHS-ZAKLUEHWSA-N
IUPAC Name
({[({[(2S,3R,4R,5R)-5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)phosphonic acid
Traditional IUPAC Name
({[(2S,3R,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy(hydroxy)phosphoryl}oxy(hydroxy)phosphoryl)oxyphosphonic acid
SMILES
NC1=NC(=O)N(C=C1)[C@@H]1O[C@@H](CO[P@](O)(=O)O[P@@](O)(=O)OP(O)(O)=O)[C@H](O)[C@H]1O
Độ hòa tan
1.12e+01 g/l
logP
-4.3
logS
-1.6
pKa (strongest acidic)
0.91
pKa (Strongest Basic)
-0.54
PSA
268.2 Å2
Refractivity
87.16 m3·mol-1
Polarizability
35.72 Å3
Rotatable Bond Count
8
H Bond Acceptor Count
13
H Bond Donor Count
7
Physiological Charge
-3
Number of Rings
2
Bioavailability
0
Tài Liệu Tham Khảo Thêm
drugbank
http://www.drugbank.ca/drugs/DB02431
PubChem Compound
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=6602106
PubChem Substance
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=46507556
KEGG Compound
http://www.genome.jp/dbget-bin/www_bget?cpd:C00063
ChemSpider
http://www.chemspider.com/Chemical-Structure.573.html
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