Tìm theo
Beta-D-Glucose
Thuốc Gốc
Small Molecule
CAS: 50-99-7
CTHH: C6H12O6
PTK: 180.1559
A primary source of energy for living organisms. It is naturally occurring and is found in fruits and other parts of plants in its free state. It is used therapeutically in fluid and nutrient replacement. [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/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6-/m0/s1
InChI Key
InChIKey=WQZGKKKJIJFFOK-QYESYBIKSA-N
IUPAC Name
(2S,3S,4R,5R,6S)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
Traditional IUPAC Name
β-D-glucose
SMILES
OC[C@@H]1O[C@H](O)[C@@H](O)[C@H](O)[C@H]1O
Độ tan chảy
83 °C
Độ hòa tan
1.2E+006 mg/L (at 30 °C)
logP
-3.24
logS
0.74
pKa (strongest acidic)
11.3
pKa (Strongest Basic)
-3
PSA
110.38 Å2
Refractivity
35.92 m3·mol-1
Polarizability
16.3 Å3
Rotatable Bond Count
1
H Bond Acceptor Count
6
H Bond Donor Count
5
Physiological Charge
0
Number of Rings
1
Bioavailability
1
Rule of Five
true
pKa
12.9 (at 0 °C)
Tài Liệu Tham Khảo Thêm
drugbank
http://www.drugbank.ca/drugs/DB02379
PubChem Compound
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=6992084
PubChem Substance
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=46505414
KEGG Compound
http://www.genome.jp/dbget-bin/www_bget?cpd:C00221
KEGG Drug
http://www.genome.jp/dbget-bin/www_bget?drug:D00009
ChemSpider
http://www.chemspider.com/Chemical-Structure.201.html
BindingDB
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=34103
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