Tìm theo
Cytidine 5'-Diphosphoglycerol
Thuốc Gốc
Small Molecule
CTHH: C12H21N3O13P2
PTK: 477.255
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C12H21N3O13P2
Phân tử khối
477.255
Monoisotopic mass
477.054960797
InChI
InChI=1S/C12H21N3O13P2/c13-8-1-2-15(12(20)14-8)11-10(19)9(18)7(27-11)5-26-30(23,24)28-29(21,22)25-4-6(17)3-16/h1-2,6-7,9-11,16-19H,3-5H2,(H,21,22)(H,23,24)(H2,13,14,20)/t6-,7-,9-,10+,11+/m0/s1
InChI Key
InChIKey=HHPOUCCVONEPRK-DLGSQSEFSA-N
IUPAC Name
{[(2S,3R,4R,5R)-5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}({[(2S)-2,3-dihydroxypropoxy](hydroxy)phosphoryl}oxy)phosphinic acid
Traditional IUPAC Name
[(2S,3R,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy[(2S)-2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxyphosphinic acid
SMILES
NC1=NC(=O)N(C=C1)[C@@H]1O[C@@H](CO[P@](O)(=O)O[P@@](O)(=O)OC[C@@H](O)CO)[C@H](O)[C@H]1O
Độ hòa tan
1.22e+01 g/l
logP
-4.6
logS
-1.6
pKa (strongest acidic)
1.86
pKa (Strongest Basic)
-0.52
PSA
251.13 Å2
Refractivity
93.03 m3·mol-1
Polarizability
39.32 Å3
Rotatable Bond Count
10
H Bond Acceptor Count
12
H Bond Donor Count
7
Physiological Charge
-2
Number of Rings
2
Bioavailability
0
Tài Liệu Tham Khảo Thêm
drugbank
http://www.drugbank.ca/drugs/DB02484
PubChem Compound
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=46936402
PubChem Substance
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=46505163
ChemSpider
http://www.chemspider.com/Chemical-Structure.492.html
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