Tìm theo
(1s,3s,4s)-1,3,4-Triphospho-Myo-Inositol
Thuốc Gốc
Small Molecule
CTHH: C6H15O15P3
PTK: 420.0956
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
420.0956
Monoisotopic mass
419.962379346
InChI
InChI=1S/C6H15O15P3/c7-1-2(8)5(20-23(13,14)15)6(21-24(16,17)18)3(9)4(1)19-22(10,11)12/h1-9H,(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)/t1-,2-,3+,4+,5+,6+/m1/s1
InChI Key
InChIKey=MMWCIQZXVOZEGG-MLQGYMEPSA-N
IUPAC Name
{[(1S,2R,3R,4S,5S,6S)-2,3,5-trihydroxy-4,6-bis(phosphonooxy)cyclohexyl]oxy}phosphonic acid
Traditional IUPAC Name
[(1S,2R,3R,4S,5S,6S)-2,3,5-trihydroxy-4,6-bis(phosphonooxy)cyclohexyl]oxyphosphonic acid
SMILES
Độ hòa tan
1.48e+01 g/l
logP
-4.2
logS
-1.4
pKa (strongest acidic)
0.54
pKa (Strongest Basic)
-3.7
PSA
260.97 Å2
Refractivity
68.39 m3·mol-1
Polarizability
29.69 Å3
Rotatable Bond Count
6
H Bond Acceptor Count
12
H Bond Donor Count
9
Physiological Charge
-6
Number of Rings
1
Bioavailability
0
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