D-Gluco-2,5-Anhydro-1-Deoxy-1-Phosphonohexitol-6-Phosphate
Thuốc Gốc
Small Molecule
CTHH: C6H14O10P2
PTK: 308.1169
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C6H14O10P2
Phân tử khối
308.1169
Monoisotopic mass
308.006219692
InChI
InChI=1S/C6H14O10P2/c7-5-3(1-15-18(12,13)14)16-4(6(5)8)2-17(9,10)11/h3-8H,1-2H2,(H2,9,10,11)(H2,12,13,14)/t3-,4-,5-,6-/m0/s1
InChI Key
InChIKey=YBOWGOLYQKBCFB-BXKVDMCESA-N
IUPAC Name
{[(2R,3R,4R,5S)-3,4-dihydroxy-5-[(phosphonooxy)methyl]oxolan-2-yl]methyl}phosphonic acid
Traditional IUPAC Name
[(2R,3R,4R,5S)-3,4-dihydroxy-5-[(phosphonooxy)methyl]oxolan-2-yl]methylphosphonic acid
SMILES
O[C@@H]1[C@@H](O)[C@H](CP(O)(O)=O)O[C@H]1COP(O)(O)=O
Độ hòa tan
2.18e+01 g/l
logP
-3.5
logS
-1.1
pKa (strongest acidic)
1.12
pKa (Strongest Basic)
-3.6
PSA
173.98 Å2
Refractivity
54.81 m3·mol-1
Polarizability
23.65 Å3
Rotatable Bond Count
5
H Bond Acceptor Count
9
H Bond Donor Count
6
Physiological Charge
-3
Number of Rings
1
Bioavailability
1
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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