Tìm theo
D-Eritadenine
Thuốc Gốc
Small Molecule
CTHH: C9H11N5O4
PTK: 253.2147
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C9H11N5O4
Phân tử khối
253.2147
Monoisotopic mass
253.081103865
InChI
InChI=1S/C9H11N5O4/c10-7-5-8(12-2-11-7)14(3-13-5)1-4(15)6(16)9(17)18/h2-4,6,15-16H,1H2,(H,17,18)(H2,10,11,12)/t4-,6+/m0/s1
InChI Key
InChIKey=LIEMBEWXEZJEEZ-UJURSFKZSA-N
IUPAC Name
(2R,3S)-4-(6-amino-9H-purin-9-yl)-2,3-dihydroxybutanoic acid
Traditional IUPAC Name
D-eritadenine
SMILES
NC1=NC=NC2=C1N=CN2C[[email protected]](O)[[email protected]@H](O)C(O)=O
Độ hòa tan
9.78e+00 g/l
logP
-3.4
logS
-1.4
pKa (strongest acidic)
3.26
pKa (Strongest Basic)
5.13
PSA
147.38 Å2
Refractivity
59.58 m3·mol-1
Polarizability
22.98 Å3
Rotatable Bond Count
4
H Bond Acceptor Count
8
H Bond Donor Count
4
Physiological Charge
-1
Number of Rings
2
Bioavailability
1
Rule of Five
true
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