5'-O-(N-(L-Seryl)-Sulfamoyl)Adenosine
Thuốc Gốc
Small Molecule
CTHH: C13H19N7O8S
PTK: 433.397
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C13H19N7O8S
Phân tử khối
433.397
Monoisotopic mass
433.101581309
InChI
InChI=1S/C13H19N7O8S/c14-5(1-21)12(24)19-29(25,26)27-2-6-8(22)9(23)13(28-6)20-4-18-7-10(15)16-3-17-11(7)20/h3-6,8-9,13,21-23H,1-2,14H2,(H,19,24)(H2,15,16,17)/t5-,6+,8+,9-,13-/m1/s1
InChI Key
InChIKey=HQXFJGONGJPTLZ-FLNYCXGNSA-N
IUPAC Name
(2R)-2-amino-1-[({[(2S,3R,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}sulfonyl)amino]-3-hydroxypropan-1-one
Traditional IUPAC Name
(2R)-2-amino-1-({[(2S,3R,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxysulfonyl}amino)-3-hydroxypropan-1-one
SMILES
N[C@H](CO)C(=O)NS(=O)(=O)OC[C@@H]1O[C@H]([C@H](O)[C@H]1O)N1C=NC2=C1N=CN=C2N
Độ hòa tan
6.31e+00 g/l
logP
-5
logS
-1.8
pKa (strongest acidic)
2.71
pKa (Strongest Basic)
6.25
PSA
238.03 Å2
Refractivity
93.69 m3·mol-1
Polarizability
38.79 Å3
Rotatable Bond Count
6
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
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