Tìm theo
9-Beta-D-Xylofuranosyl-Adenine
Thuốc Gốc
Small Molecule
CTHH: C10H13N5O4
PTK: 267.2413
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C10H13N5O4
Phân tử khối
267.2413
Monoisotopic mass
267.096753929
InChI
InChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6-,7+,10+/m0/s1
InChI Key
InChIKey=OIRDTQYFTABQOQ-FCIPNVEPSA-N
IUPAC Name
(2R,3R,4R,5S)-2-(6-amino-9H-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
Traditional IUPAC Name
(2R,3R,4R,5S)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
SMILES
Độ hòa tan
1.40e+01 g/l
logP
-2.1
logS
-1.3
pKa (strongest acidic)
12.45
pKa (Strongest Basic)
4.99
PSA
139.54 Å2
Refractivity
63.2 m3·mol-1
Polarizability
24.99 Å3
Rotatable Bond Count
2
H Bond Acceptor Count
8
H Bond Donor Count
4
Physiological Charge
0
Number of Rings
3
Bioavailability
1
Rule of Five
true
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