Tìm theo
Adenosyl-Ornithine
antifungal agents
Thuốc Gốc
Small Molecule
CAS: 58944-73-3
CTHH: C15H23N7O5
PTK: 381.387
Adenosyl-ornithine is a solid. This compound belongs to the purine nucleosides and analogues. These are compounds comprising a purine base attached to a sugar. The proteins that adenosyl-ornithine target include RdmB, modification methylase TaqI, rRNA (adenine-N6-)-methyltransferase, and modification methylase RsrI.
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C15H23N7O5
Phân tử khối
381.387
Monoisotopic mass
381.176066881
InChI
InChI=1S/C15H23N7O5/c16-6(1-2-7(17)15(25)26)3-8-10(23)11(24)14(27-8)22-5-21-9-12(18)19-4-20-13(9)22/h4-8,10-11,14,23-24H,1-3,16-17H2,(H,25,26)(H2,18,19,20)/t6-,7-,8+,10+,11-,14-/m1/s1
InChI Key
InChIKey=LMXOHSDXUQEUSF-CMDGEXLLSA-N
IUPAC Name
(2R,5R)-2,5-diamino-6-[(2S,3R,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]hexanoic acid
Traditional IUPAC Name
adenosyl-ornithine
SMILES
N[C@H](CC[C@@H](N)C(O)=O)C[C@@H]1O[C@H]([C@H](O)[C@H]1O)N1C=NC2=C1N=CN=C2N
Độ hòa tan
4.63e+00 g/l
logP
-5.1
logS
-1.9
pKa (strongest acidic)
1.95
pKa (Strongest Basic)
10.18
PSA
208.65 Å2
Refractivity
92.68 m3·mol-1
Polarizability
37.63 Å3
Rotatable Bond Count
7
H Bond Acceptor Count
11
H Bond Donor Count
6
Physiological Charge
1
Number of Rings
3
Bioavailability
0
MDDR-Like Rule
true
Tài Liệu Tham Khảo Thêm
drugbank
http://www.drugbank.ca/drugs/DB01910
PubChem Compound
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=46936257
PubChem Substance
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=46508037
ChemSpider
http://www.chemspider.com/Chemical-Structure.3280577.html
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