5'-O-[(L-Methionyl)-Sulphamoyl]Adenosine
Thuốc Gốc
Small Molecule
CTHH: C15H25N7O7S2
PTK: 479.532
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C15H25N7O7S2
Phân tử khối
479.532
Monoisotopic mass
479.125687569
InChI
InChI=1S/C15H25N7O7S2/c1-30-3-2-7(16)14(25)21-31(26,27)28-4-8-10(23)11(24)15(29-8)22-6-20-9-12(17)18-5-19-13(9)22/h5-8,10-11,13,15,23-24H,2-4,16-17H2,1H3,(H,18,19)(H,21,25)/t7-,8+,10+,11-,13+,15-/m1/s1
InChI Key
InChIKey=SQDXXTAOGLOMRP-JJWYTCDVSA-N
IUPAC Name
(2R)-2-amino-1-[({[(2S,3R,4R,5R)-5-[(4S)-6-amino-4,9-dihydro-1H-purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methoxy}sulfonyl)amino]-2-[2-(methylsulfanyl)ethyl]ethan-1-one
Traditional IUPAC Name
(2R)-2-amino-1-({[(2S,3R,4R,5R)-5-[(4S)-6-amino-1,4-dihydropurin-9-yl]-3,4-dihydroxyoxolan-2-yl]methoxysulfonyl}amino)-2-[2-(methylsulfanyl)ethyl]ethanone
SMILES
CSCC[C@@H](N)C(=O)NS(=O)(=O)OC[C@@H]1O[C@H]([C@H](O)[C@H]1O)N1C=NC2=C(N)NC=N[C@@H]12
Độ hòa tan
4.92e+00 g/l
logP
-4.4
logS
-2
pKa (strongest acidic)
2.78
pKa (Strongest Basic)
6.79
PSA
214.19 Å2
Refractivity
118.9 m3·mol-1
Polarizability
45.87 Å3
Rotatable Bond Count
8
H Bond Acceptor Count
13
H Bond Donor Count
6
Physiological Charge
-1
Number of Rings
3
Bioavailability
0
MDDR-Like Rule
true
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
Bạn thấy hài lòng ?
Bạn chưa hài lòng ?
... loading
... loading