Tìm theo
5-iodotubercidin
Thuốc Gốc
Small Molecule
CAS: 24386-93-4
CTHH: C11H13IN4O4
PTK: 392.1498
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
392.1498
Monoisotopic mass
391.998148344
InChI
InChI=1S/C11H13IN4O4/c12-4-1-16(10-6(4)9(13)14-3-15-10)11-8(19)7(18)5(2-17)20-11/h1,3,5,7-8,11,17-19H,2H2,(H2,13,14,15)/t5-,7-,8-,11-/m1/s1
InChI Key
InChIKey=WHSIXKUPQCKWBY-IOSLPCCCSA-N
IUPAC Name
(2R,3R,4S,5R)-2-{4-amino-5-iodo-7H-pyrrolo[2,3-d]pyrimidin-7-yl}-5-(hydroxymethyl)oxolane-3,4-diol
Traditional IUPAC Name
5-iodotubercidin
SMILES
[H][[email protected]]1(CO)O[[email protected]@]([H])(N2C=C(I)C3=C(N)N=CN=C23)[[email protected]]([H])(O)[[email protected]]1([H])O
Độ hòa tan
3.61e+00 g/l
logP
-0.35
logS
-2
pKa (strongest acidic)
12.46
pKa (Strongest Basic)
6.56
PSA
126.65 Å2
Refractivity
78.73 m3·mol-1
Polarizability
31.07 Å3
Rotatable Bond Count
2
H Bond Acceptor Count
7
H Bond Donor Count
4
Physiological Charge
0
Number of Rings
3
Bioavailability
1
Rule of Five
true
Ghose Filter
true
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