Tìm theo
Dimethylallyl Diphosphate
Thuốc Gốc
Small Molecule
CAS: 358-72-5
CTHH: C5H12O7P2
PTK: 246.0921
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
246.0921
Monoisotopic mass
246.005825762
InChI
InChI=1S/C5H12O7P2/c1-5(2)3-4-11-14(9,10)12-13(6,7)8/h3H,4H2,1-2H3,(H,9,10)(H2,6,7,8)
InChI Key
InChIKey=CBIDRCWHNCKSTO-UHFFFAOYSA-N
IUPAC Name
({hydroxy[(3-methylbut-2-en-1-yl)oxy]phosphoryl}oxy)phosphonic acid
Traditional IUPAC Name
[hydroxy(3-methylbut-2-en-1-yl)oxyphosphoryl]oxyphosphonic acid
SMILES
CC(C)=CCO[P@](O)(=O)OP(O)(O)=O
Độ hòa tan
6.54e+00 g/l
logP
0.3
logS
-1.6
pKa (strongest acidic)
1.77
PSA
113.29 Å2
Refractivity
49.13 m3·mol-1
Polarizability
19.19 Å3
Rotatable Bond Count
5
H Bond Acceptor Count
5
H Bond Donor Count
3
Physiological Charge
-2
Number of Rings
0
Bioavailability
1
Rule of Five
true
Ghose Filter
true
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