S-Adenosyl-L-Homoselenocysteine
Thuốc Gốc
Small Molecule
CTHH: C14H20N6O5Se
PTK: 431.31
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C14H20N6O5Se
Phân tử khối
431.31
Monoisotopic mass
432.066039608
InChI
InChI=1S/C14H20N6O5Se/c15-6(14(23)24)1-2-26-3-7-9(21)10(22)13(25-7)20-5-19-8-11(16)17-4-18-12(8)20/h4-7,9-10,13,21-22H,1-3,15H2,(H,23,24)(H2,16,17,18)/t6-,7-,9-,10+,13+/m0/s1
InChI Key
InChIKey=UVSMMLABJBJNGH-SRMDEQNCSA-N
IUPAC Name
(2S)-2-amino-4-({[(2R,3R,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl}selanyl)butanoic acid
Traditional IUPAC Name
(2S)-2-amino-4-({[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl}selanyl)butanoic acid
SMILES
N[C@@H](CC[Se]C[C@@H]1O[C@H]([C@H](O)[C@H]1O)N1C=NC2=C1N=CN=C2N)C(O)=O
Độ hòa tan
8.42e+00 g/l
logP
-5.3
logS
-1.7
pKa (strongest acidic)
1.31
pKa (Strongest Basic)
9.5
PSA
182.63 Å2
Refractivity
98.04 m3·mol-1
Polarizability
37.01 Å3
Rotatable Bond Count
7
H Bond Acceptor Count
10
H Bond Donor Count
5
Physiological Charge
0
Number of Rings
3
Bioavailability
1
MDDR-Like Rule
true
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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