5-Phosphoribosyl-1-(Beta-Methylene) Pyrophosphate
Thuốc Gốc
Small Molecule
CTHH: C6H15O13P3
PTK: 388.0968
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C6H15O13P3
Phân tử khối
388.0968
Monoisotopic mass
387.972550102
InChI
InChI=1S/C6H15O13P3/c7-4-3(1-17-22(14,15)16)18-6(5(4)8)19-21(12,13)2-20(9,10)11/h3-8H,1-2H2,(H,12,13)(H2,9,10,11)(H2,14,15,16)/t3-,4-,5+,6-/m0/s1
InChI Key
InChIKey=JFMKBQDEISBIPL-AZGQCCRYSA-N
IUPAC Name
[({[(2S,3R,4R,5S)-3,4-dihydroxy-5-[(phosphonooxy)methyl]oxolan-2-yl]oxy}(hydroxy)phosphoryl)methyl]phosphonic acid
Traditional IUPAC Name
{[(2S,3R,4R,5S)-3,4-dihydroxy-5-[(phosphonooxy)methyl]oxolan-2-yl]oxy(hydroxy)phosphoryl}methylphosphonic acid
SMILES
O[C@@H]1[C@@H](O)[C@H](O[P@](O)(=O)CP(O)(O)=O)O[C@H]1COP(O)(O)=O
Độ hòa tan
1.83e+01 g/l
logP
-3.8
logS
-1.3
pKa (strongest acidic)
0.74
pKa (Strongest Basic)
-3.7
PSA
220.51 Å2
Refractivity
64.93 m3·mol-1
Polarizability
27.96 Å3
Rotatable Bond Count
7
H Bond Acceptor Count
11
H Bond Donor Count
7
Physiological Charge
-4
Number of Rings
1
Bioavailability
0
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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