Tìm theo
4-Hydroxy-3-Methyl Butyl Diphosphate
Thuốc Gốc
Small Molecule
CTHH: C5H14O8P2
PTK: 264.1074
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
264.1074
Monoisotopic mass
264.016390448
InChI
InChI=1S/C5H14O8P2/c1-5(4-6)2-3-12-15(10,11)13-14(7,8)9/h5-6H,2-4H2,1H3,(H,10,11)(H2,7,8,9)/t5-/m0/s1
InChI Key
InChIKey=URURINNTPGGDIV-YFKPBYRVSA-N
IUPAC Name
({hydroxy[(3S)-4-hydroxy-3-methylbutoxy]phosphoryl}oxy)phosphonic acid
Traditional IUPAC Name
[hydroxy(3S)-4-hydroxy-3-methylbutoxyphosphoryl]oxyphosphonic acid
SMILES
C[C@H](CO)CCO[P@](O)(=O)OP(O)(O)=O
Độ hòa tan
1.05e+01 g/l
logP
-0.81
logS
-1.4
pKa (strongest acidic)
1.78
pKa (Strongest Basic)
-2.6
PSA
133.52 Å2
Refractivity
50.28 m3·mol-1
Polarizability
21.18 Å3
Rotatable Bond Count
7
H Bond Acceptor Count
6
H Bond Donor Count
4
Physiological Charge
-2
Number of Rings
0
Bioavailability
1
Rule of Five
true
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