N'-L-Seryl-3'-Amino-(3'-Deoxy)-Adenosine
Thuốc Gốc
Small Molecule
CTHH: C13H19N7O5
PTK: 353.3339
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C13H19N7O5
Phân tử khối
353.3339
Monoisotopic mass
353.144766753
InChI
InChI=1S/C13H19N7O5/c14-5(1-21)12(24)19-7-6(2-22)25-13(9(7)23)20-4-18-8-10(15)16-3-17-11(8)20/h3-7,9,13,21-23H,1-2,14H2,(H,19,24)(H2,15,16,17)/t5-,6+,7+,9-,13-/m1/s1
InChI Key
InChIKey=ITDKSTILAWHDJI-IZIMKHQASA-N
IUPAC Name
(2R)-2-amino-N-[(2R,3R,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-3-hydroxypropanamide
Traditional IUPAC Name
(2R)-2-amino-N-[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-3-hydroxypropanamide
SMILES
N[C@H](CO)C(=O)N[C@H]1[C@H](CO)O[C@H]([C@@H]1O)N1C=NC2=C1N=CN=C2N
Độ hòa tan
9.74e+00 g/l
logP
-3.8
logS
-1.6
pKa (strongest acidic)
12.17
pKa (Strongest Basic)
7.85
PSA
194.66 Å2
Refractivity
83.69 m3·mol-1
Polarizability
33.61 Å3
Rotatable Bond Count
5
H Bond Acceptor Count
10
H Bond Donor Count
6
Physiological Charge
1
Number of Rings
3
Bioavailability
1
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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