Tìm theo
Inositol-(1,3,4,5,6)-Pentakisphosphate
Thuốc Gốc
Small Molecule
CTHH: C6H17O21P5
PTK: 580.0554
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C6H17O21P5
Phân tử khối
580.0554
Monoisotopic mass
579.895040166
InChI
InChI=1S/C6H17O21P5/c7-1-2(23-28(8,9)10)4(25-30(14,15)16)6(27-32(20,21)22)5(26-31(17,18)19)3(1)24-29(11,12)13/h1-7H,(H2,8,9,10)(H2,11,12,13)(H2,14,15,16)(H2,17,18,19)(H2,20,21,22)/t1-,2-,3+,4-,5-,6+/m0/s1
InChI Key
InChIKey=CTPQAXVNYGZUAJ-WPRNADSXSA-N
IUPAC Name
{[(1S,2R,3R,4S,5S,6S)-2-hydroxy-3,4,5,6-tetrakis(phosphonooxy)cyclohexyl]oxy}phosphonic acid
Traditional IUPAC Name
[(1S,2R,3R,4S,5S,6S)-2-hydroxy-3,4,5,6-tetrakis(phosphonooxy)cyclohexyl]oxyphosphonic acid
SMILES
O[C@H]1[C@H](OP(O)(O)=O)[C@H](OP(O)(O)=O)[C@@H](OP(O)(O)=O)[C@@H](OP(O)(O)=O)[C@@H]1OP(O)(O)=O
Độ hòa tan
1.34e+01 g/l
logP
-4.4
logS
-1.6
pKa (strongest acidic)
0.19
PSA
354.03 Å2
Refractivity
90.14 m3·mol-1
Polarizability
38.08 Å3
Rotatable Bond Count
10
H Bond Acceptor Count
16
H Bond Donor Count
11
Physiological Charge
-10
Number of Rings
1
Bioavailability
0
Tài Liệu Tham Khảo Thêm
drugbank
http://www.drugbank.ca/drugs/DB03344
PubChem Compound
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=9548598
PubChem Substance
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=46505565
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