'5'-O-(N-(L-Prolyl)-Sulfamoyl)Adenosine
Thuốc Gốc
Small Molecule
CTHH: C15H21N7O7S
PTK: 443.435
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
443.435
Monoisotopic mass
443.122316751
InChI
InChI=1S/C15H21N7O7S/c16-12-9-13(19-5-18-12)22(6-20-9)15-11(24)10(23)8(29-15)4-28-30(26,27)21-14(25)7-2-1-3-17-7/h5-8,10-11,15,17,23-24H,1-4H2,(H,21,25)(H2,16,18,19)/t7-,8-,10-,11+,15+/m0/s1
InChI Key
InChIKey=LKVJEMXWEODCAY-WTOVGXSXSA-N
IUPAC Name
[({[(2S,3R,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}sulfonyl)amino](2S)-pyrrolidin-2-ylmethanone
Traditional IUPAC Name
({[(2S,3R,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxysulfonyl}amino)(2S)-pyrrolidin-2-ylmethanone
SMILES
NC1=NC=NC2=C1N=CN2[C@@H]1O[C@@H](COS(=O)(=O)NC(=O)[C@@H]2CCCN2)[C@H](O)[C@H]1O
Độ hòa tan
4.09e+00 g/l
logP
-3.6
logS
-2
pKa (strongest acidic)
2.73
pKa (Strongest Basic)
9.4
PSA
203.81 Å2
Refractivity
99.71 m3·mol-1
Polarizability
41.76 Å3
Rotatable Bond Count
5
H Bond Acceptor Count
12
H Bond Donor Count
5
Physiological Charge
0
Number of Rings
4
Bioavailability
0
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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