N6-ISOPENTENYL-ADENOSINE-5'-MONOPHOSPHATE
Thuốc Gốc
Small Molecule
CTHH: C15H24N5O7P
PTK: 417.3541
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
417.3541
Monoisotopic mass
417.141334659
InChI
InChI=1S/C15H24N5O7P/c1-8(2)3-4-16-13-10-14(18-6-17-13)20(7-19-10)15-12(22)11(21)9(27-15)5-26-28(23,24)25/h6-9,11-12,15,21-22H,3-5H2,1-2H3,(H,16,17,18)(H2,23,24,25)/t9-,11-,12-,15-/m1/s1
InChI Key
InChIKey=GZJXCRHEMLAMRA-SDBHATRESA-N
IUPAC Name
{[(2R,3S,4R,5R)-3,4-dihydroxy-5-{6-[(3-methylbutyl)amino]-9H-purin-9-yl}oxolan-2-yl]methoxy}phosphonic acid
Traditional IUPAC Name
[(2R,3S,4R,5R)-3,4-dihydroxy-5-{6-[(3-methylbutyl)amino]purin-9-yl}oxolan-2-yl]methoxyphosphonic acid
SMILES
[H][C@]1(COP(O)(O)=O)O[C@@]([H])(N2C=NC3=C2N=CN=C3NCCC(C)C)[C@]([H])(O)[C@]1([H])O
Độ hòa tan
1.74e+00 g/l
logP
-2.8
logS
-2.4
pKa (strongest acidic)
1.23
pKa (Strongest Basic)
4.85
PSA
172.08 Å2
Refractivity
97.98 m3·mol-1
Polarizability
40.35 Å3
Rotatable Bond Count
8
H Bond Acceptor Count
10
H Bond Donor Count
5
Physiological Charge
-2
Number of Rings
3
Bioavailability
1
Rule of Five
true
MDDR-Like Rule
true
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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