(S)-4-Bromo-3-Hydroxy-3-Methylbutyl Diphosphate
Thuốc Gốc
Small Molecule
CTHH: C5H13BrO8P2
PTK: 343.003
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
343.003
Monoisotopic mass
341.926903063
InChI
InChI=1S/C5H13BrO8P2/c1-5(7,4-6)2-3-13-16(11,12)14-15(8,9)10/h7H,2-4H2,1H3,(H,11,12)(H2,8,9,10)/t5-/m1/s1
InChI Key
InChIKey=YKAYCWPQDPILSA-RXMQYKEDSA-N
IUPAC Name
({[(3R)-4-bromo-3-hydroxy-3-methylbutoxy](hydroxy)phosphoryl}oxy)phosphonic acid
Traditional IUPAC Name
[(3R)-4-bromo-3-hydroxy-3-methylbutoxy(hydroxy)phosphoryl]oxyphosphonic acid
SMILES
C[C@](O)(CBr)CCO[P@](O)(=O)OP(O)(O)=O
Độ hòa tan
1.01e+01 g/l
logP
-0.5
logS
-1.5
pKa (strongest acidic)
1.78
pKa (Strongest Basic)
-3.2
PSA
133.52 Å2
Refractivity
57.8 m3·mol-1
Polarizability
24.12 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
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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