Tìm theo
Tryptophanyl-5'amp
Thuốc Gốc
Small Molecule
CTHH: C21H24N7O8P
PTK: 533.4311
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C21H24N7O8P
Phân tử khối
533.4311
Monoisotopic mass
533.142397291
InChI
InChI=1S/C21H24N7O8P/c22-12(5-10-6-24-13-4-2-1-3-11(10)13)21(31)36-37(32,33)34-7-14-16(29)17(30)20(35-14)28-9-27-15-18(23)25-8-26-19(15)28/h1-4,6,8-9,12,14,16-17,20,24,29-30H,5,7,22H2,(H,32,33)(H2,23,25,26)/t12-,14+,16+,17+,20+/m0/s1
InChI Key
InChIKey=IFQVDHDRFCKAAW-SQIXAUHQSA-N
IUPAC Name
{[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]oxy}({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy})phosphinic acid
Traditional IUPAC Name
[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]oxy[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxyphosphinic acid
SMILES
N[C@@H](CC1=CNC2=CC=CC=C12)C(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC2=C(N)N=CN=C12
Độ hòa tan
1.11e+00 g/l
logP
-1.8
logS
-2.7
pKa (strongest acidic)
0.77
pKa (Strongest Basic)
6.92
PSA
233.95 Å2
Refractivity
126.78 m3·mol-1
Polarizability
50.17 Å3
Rotatable Bond Count
9
H Bond Acceptor Count
11
H Bond Donor Count
6
Physiological Charge
-1
Number of Rings
5
Bioavailability
0
MDDR-Like Rule
true
Tương Tác Thuốc :
  • Moclobemide Possible severe adverse reaction with this combination
  • Phenelzine Possible severe adverse reaction with this combination
Tài Liệu Tham Khảo Thêm
drugbank
http://www.drugbank.ca/drugs/DB01831
PubChem Compound
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=446202
PubChem Substance
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=46505679
ChemSpider
http://www.chemspider.com/Chemical-Structure.393621.html
... loading
... loading