Tìm theo
1,6-Di-O-Phosphono-D-Allitol
Thuốc Gốc
Small Molecule
CTHH: C6H16O12P2
PTK: 342.1316
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C6H16O12P2
Phân tử khối
342.1316
Monoisotopic mass
342.011699
InChI
InChI=1S/C6H16O12P2/c7-3(1-17-19(11,12)13)5(9)6(10)4(8)2-18-20(14,15)16/h3-10H,1-2H2,(H2,11,12,13)(H2,14,15,16)/t3-,4-,5+,6+/m1/s1
InChI Key
InChIKey=WOYYTQHMNDWRCW-ZXXMMSQZSA-N
IUPAC Name
{[(2R,3S,4S,5R)-2,3,4,5-tetrahydroxy-6-(phosphonooxy)hexyl]oxy}phosphonic acid
Traditional IUPAC Name
[(2R,3S,4S,5R)-2,3,4,5-tetrahydroxy-6-(phosphonooxy)hexyl]oxyphosphonic acid
SMILES
O[C@H](COP(O)(O)=O)[C@H](O)[C@@H](O)[C@H](O)COP(O)(O)=O
Độ hòa tan
1.62e+01 g/l
logP
-4
logS
-1.3
pKa (strongest acidic)
1.19
pKa (Strongest Basic)
-3.5
PSA
214.44 Å2
Refractivity
60.15 m3·mol-1
Polarizability
26.01 Å3
Rotatable Bond Count
9
H Bond Acceptor Count
10
H Bond Donor Count
8
Physiological Charge
-4
Number of Rings
0
Bioavailability
0
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