L-Alpha-Glycerophospho-D-Myo-Inositol-4,5-Bis-Phosphate
Thuốc Gốc
Small Molecule
CTHH: C9H19O17P3
PTK: 492.1582
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
492.1582
Monoisotopic mass
491.983508718
InChI
InChI=1S/C9H19O17P3/c10-1-3(11)2-23-29(21,22)26-7-4(12)5(13)8(24-27(15,16)17)9(6(7)14)25-28(18,19)20/h4-10,12-14H,1-2H2,(H,21,22)(H2,15,16,17)(H2,18,19,20)/t4-,5-,6-,7+,8+,9-/m1/s1
InChI Key
InChIKey=JBQPYAMQMBKZDT-CMLZIERQSA-N
IUPAC Name
{[(1S,2R,3R,4S,5R,6R)-2,3,5-trihydroxy-4-{[hydroxy(3-hydroxy-2-oxopropoxy)phosphoryl]oxy}-6-(phosphonooxy)cyclohexyl]oxy}phosphonic acid
Traditional IUPAC Name
[(1S,2R,3R,4S,5R,6R)-2,3,5-trihydroxy-4-{[hydroxy(3-hydroxy-2-oxopropoxy)phosphoryl]oxy}-6-(phosphonooxy)cyclohexyl]oxyphosphonic acid
SMILES
OCC(=O)CO[P@@](O)(=O)O[C@H]1[C@H](O)[C@@H](O)[C@H](OP(O)(O)=O)[C@H](OP(O)(O)=O)[C@@H]1O
Độ hòa tan
1.43e+01 g/l
logP
-4.8
logS
-1.5
pKa (strongest acidic)
0.62
pKa (Strongest Basic)
-3.7
PSA
287.27 Å2
Refractivity
84.21 m3·mol-1
Polarizability
36.8 Å3
Rotatable Bond Count
10
H Bond Acceptor Count
13
H Bond Donor Count
9
Physiological Charge
-5
Number of Rings
1
Bioavailability
0
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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