Tìm theo
Cytidine-5'-Diphosphate
Thuốc Gốc
Small Molecule
CAS: 63-38-7
CTHH: C9H15N3O11P2
PTK: 403.1764
Cytidine 5'-(trihydrogen diphosphate). A cytosine nucleotide containing two phosphate groups esterified to the sugar moiety. Synonyms: CRPP; cytidine pyrophosphate. [PubChem]
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C9H15N3O11P2
Phân tử khối
403.1764
Monoisotopic mass
403.018181361
InChI
InChI=1S/C9H15N3O11P2/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(22-8)3-21-25(19,20)23-24(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H2,10,11,15)(H2,16,17,18)/t4-,6-,7+,8+/m0/s1
InChI Key
InChIKey=ZWIADYZPOWUWEW-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]phosphonic acid
Traditional IUPAC Name
{[(2S,3R,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy(hydroxy)phosphoryl}oxyphosphonic acid
SMILES
NC1=NC(=O)N(C=C1)[C@@H]1O[C@@H](CO[P@](O)(=O)OP(O)(O)=O)[C@H](O)[C@H]1O
Độ hòa tan
1.01e+01 g/l
logP
-3.6
logS
-1.6
pKa (strongest acidic)
1.77
pKa (Strongest Basic)
-0.52
PSA
221.67 Å2
Refractivity
76.29 m3·mol-1
Polarizability
31.6 Å3
Rotatable Bond Count
6
H Bond Acceptor Count
11
H Bond Donor Count
6
Physiological Charge
-2
Number of Rings
2
Bioavailability
0
Tài Liệu Tham Khảo Thêm
drugbank
http://www.drugbank.ca/drugs/DB04555
PubChem Compound
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=46937009
PubChem Substance
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=46508856
KEGG Compound
http://www.genome.jp/dbget-bin/www_bget?cpd:C00112
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