9-(2-Deoxy-Beta-D-Ribofuranosyl)-6-Methylpurine
Thuốc Gốc
Small Molecule
CTHH: C11H14N4O3
PTK: 250.2539
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C11H14N4O3
Phân tử khối
250.2539
Monoisotopic mass
250.106590334
InChI
InChI=1S/C11H14N4O3/c1-6-10-11(13-4-12-6)15(5-14-10)9-2-7(17)8(3-16)18-9/h4-5,7-9,16-17H,2-3H2,1H3/t7-,8+,9-/m1/s1
InChI Key
InChIKey=SJXRKKYXNZWKDB-HRDYMLBCSA-N
IUPAC Name
(2S,3R,5R)-2-(hydroxymethyl)-5-(6-methyl-9H-purin-9-yl)oxolan-3-ol
Traditional IUPAC Name
(2S,3R,5R)-2-(hydroxymethyl)-5-(6-methylpurin-9-yl)oxolan-3-ol
SMILES
CC1=NC=NC2=C1N=CN2[C@H]1C[C@@H](O)[C@H](CO)O1
Độ hòa tan
7.78e+00 g/l
logP
-0.82
logS
-1.5
pKa (strongest acidic)
13.89
pKa (Strongest Basic)
4.24
PSA
93.29 Å2
Refractivity
61.26 m3·mol-1
Polarizability
24.62 Å3
Rotatable Bond Count
2
H Bond Acceptor Count
6
H Bond Donor Count
2
Physiological Charge
0
Number of Rings
3
Bioavailability
1
Rule of Five
true
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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