Tìm theo
D-Myo-Inositol-1,4-Bisphosphate
Thuốc Gốc
Small Molecule
CAS: 47055-78-7
CTHH: C6H14O12P2
PTK: 340.1157
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C6H14O12P2
Phân tử khối
340.1157
Monoisotopic mass
339.996048936
InChI
InChI=1S/C6H14O12P2/c7-1-2(8)6(18-20(14,15)16)4(10)3(9)5(1)17-19(11,12)13/h1-10H,(H2,11,12,13)(H2,14,15,16)/t1-,2-,3+,4+,5+,6+
InChI Key
InChIKey=PELZSPZCXGTUMR-HYDKFDCNSA-N
IUPAC Name
{[(1r,2R,3R,4r,5S,6S)-2,3,5,6-tetrahydroxy-4-(phosphonooxy)cyclohexyl]oxy}phosphonic acid
Traditional IUPAC Name
[(1r,2R,3R,4r,5S,6S)-2,3,5,6-tetrahydroxy-4-(phosphonooxy)cyclohexyl]oxyphosphonic acid
SMILES
O[C@H]1[C@H](O)[C@@H](OP(O)(O)=O)[C@H](O)[C@@H](O)[C@@H]1OP(O)(O)=O
Độ hòa tan
2.44e+01 g/l
logP
-4
logS
-1.1
pKa (strongest acidic)
0.86
pKa (Strongest Basic)
-3.7
PSA
214.44 Å2
Refractivity
57.52 m3·mol-1
Polarizability
25.05 Å3
Rotatable Bond Count
4
H Bond Acceptor Count
10
H Bond Donor Count
8
Physiological Charge
-4
Number of Rings
1
Bioavailability
0
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