Tìm theo
Inositol 1,3,4,5-Tetrakisphosphate
Thuốc Gốc
Small Molecule
CTHH: C6H16O18P4
PTK: 500.0755
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C6H16O18P4
Phân tử khối
500.0755
Monoisotopic mass
499.928709756
InChI
InChI=1S/C6H16O18P4/c7-1-3(21-25(9,10)11)2(8)5(23-27(15,16)17)6(24-28(18,19)20)4(1)22-26(12,13)14/h1-8H,(H2,9,10,11)(H2,12,13,14)(H2,15,16,17)(H2,18,19,20)/t1-,2+,3-,4-,5-,6+/m1/s1
InChI Key
InChIKey=CIPFCGZLFXVXBG-ZIQZFLOESA-N
IUPAC Name
{[(1S,2S,3R,4R,5R,6R)-2,6-dihydroxy-3,4,5-tris(phosphonooxy)cyclohexyl]oxy}phosphonic acid
Traditional IUPAC Name
[(1S,2S,3R,4R,5R,6R)-2,6-dihydroxy-3,4,5-tris(phosphonooxy)cyclohexyl]oxyphosphonic acid
SMILES
O[C@H]1[C@H](OP(O)(O)=O)[C@@H](O)[C@@H](OP(O)(O)=O)[C@H](OP(O)(O)=O)[C@@H]1OP(O)(O)=O
Độ hòa tan
1.15e+01 g/l
logP
-4.3
logS
-1.6
pKa (strongest acidic)
0.33
PSA
307.5 Å2
Refractivity
79.27 m3·mol-1
Polarizability
33.89 Å3
Rotatable Bond Count
8
H Bond Acceptor Count
14
H Bond Donor Count
10
Physiological Charge
-8
Number of Rings
1
Bioavailability
0
Tài Liệu Tham Khảo Thêm
drugbank
http://www.drugbank.ca/drugs/DB01863
PubChem Compound
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=13830686
PubChem Substance
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=46508691
KEGG Compound
http://www.genome.jp/dbget-bin/www_bget?cpd:C01272
ChemSpider
http://www.chemspider.com/Chemical-Structure.465.html
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