Tìm theo
Cellobiose
Thuốc Gốc
Small Molecule
CAS: 16462-44-5
CTHH: C12H22O11
PTK: 342.2965
A disaccharide consisting of two glucose units in beta (1-4) glycosidic linkage. Obtained from the partial hydrolysis of cellulose. [PubChem]
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C12H22O11
Phân tử khối
342.2965
Monoisotopic mass
342.116211546
InChI
InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3-,4-,5-,6+,7+,8+,9-,10+,11+,12-/m0/s1
InChI Key
InChIKey=GUBGYTABKSRVRQ-AEDSEYDFSA-N
IUPAC Name
(2S,3R,4R,5S,6S)-2-(hydroxymethyl)-6-{[(2S,3S,4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}oxane-3,4,5-triol
Traditional IUPAC Name
mannobiose
SMILES
OC[C@@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)O[C@H]2CO)[C@@H](O)[C@H](O)[C@H]1O
Độ hòa tan
5.86e+02 g/l
logP
-4.7
logS
0.23
pKa (strongest acidic)
11.25
pKa (Strongest Basic)
-3
PSA
189.53 Å2
Refractivity
68.34 m3·mol-1
Polarizability
31.19 Å3
Rotatable Bond Count
4
H Bond Acceptor Count
11
H Bond Donor Count
8
Physiological Charge
0
Number of Rings
2
Bioavailability
0
Tài Liệu Tham Khảo Thêm
drugbank
http://www.drugbank.ca/drugs/DB02061
PubChem Compound
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=46936190
PubChem Substance
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=46505046
KEGG Compound
http://www.genome.jp/dbget-bin/www_bget?cpd:C00185
ChemSpider
http://www.chemspider.com/Chemical-Structure.288.html
Wikipedia
http://en.wikipedia.org/wiki/Cellobiose
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