Tìm theo
Myo-Inositol
Thuốc Gốc
Small Molecule
CTHH: C6H12O6
PTK: 180.1559
An isomer of glucose that has traditionally been considered to be a B vitamin although it has an uncertain status as a vitamin and a deficiency syndrome has not been identified in man. (From Martindale, The Extra Pharmacopoeia, 30th ed, p1379) Inositol phospholipids are important in signal transduction. [PubChem]
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C6H12O6
Phân tử khối
180.1559
Monoisotopic mass
180.063388116
InChI
InChI=1S/C6H12O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-12H/t1-,2-,3+,4+,5-,6-
InChI Key
InChIKey=CDAISMWEOUEBRE-CDRYSYESSA-N
IUPAC Name
(1r,2r,3r,4r,5r,6r)-cyclohexane-1,2,3,4,5,6-hexol
Traditional IUPAC Name
myo-inositol
SMILES
O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O
Độ hòa tan
4.85e+02 g/l
logP
-3.8
logS
0.43
pKa (strongest acidic)
12.29
pKa (Strongest Basic)
-3.6
PSA
121.38 Å2
Refractivity
35.77 m3·mol-1
Polarizability
16.13 Å3
Rotatable Bond Count
0
H Bond Acceptor Count
6
H Bond Donor Count
6
Physiological Charge
0
Number of Rings
1
Bioavailability
1
Tài Liệu Tham Khảo Thêm
drugbank
http://www.drugbank.ca/drugs/DB03106
PubChem Compound
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=892
PubChem Substance
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=46505198
ChemSpider
http://www.chemspider.com/Chemical-Structure.868.html
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