Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB03281"
| Predicate | Value (sorted: default) |
|---|---|
| rdfs:label |
"2'-Deoxymaltose"
|
| rdf:type | |
| ns1:description |
"
experimental
This compound belongs to the dihexoses. These are disaccharides containing two hexose carbohydrates.
Dihexoses
Organic Compounds
Organooxygen Compounds
Carbohydrates and Carbohydrate Conjugates
Disaccharides
O-glycosyl Compounds
Oxanes
Secondary Alcohols
1,2-Diols
Hemiacetals
Primary Alcohols
Acetals
Polyamines
o-glycosyl compound
glycosyl compound
oxane
polyol
hemiacetal
1,2-diol
secondary alcohol
polyamine
primary alcohol
ether
acetal
alcohol
logP
-3.2
ALOGPS
logS
0.22
ALOGPS
Water Solubility
5.45e+02 g/l
ALOGPS
logP
-3.8
ChemAxon
IUPAC Name
(2R,3S,4R,5R,6S)-2-{[(2R,3R,4S,6S)-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
ChemAxon
Traditional IUPAC Name
2'-deoxymaltose
ChemAxon
Molecular Weight
326.2971
ChemAxon
Monoisotopic Weight
326.121296924
ChemAxon
SMILES
OC[C@@H]1O[C@H](O[C@@H]2[C@@H](O)C[C@@H](O)O[C@@H]2CO)[C@@H](O)[C@H](O)[C@H]1O
ChemAxon
Molecular Formula
C12H22O10
ChemAxon
InChI
InChI=1S/C12H22O10/c13-2-5-8(17)9(18)10(19)12(21-5)22-11-4(15)1-7(16)20-6(11)3-14/h4-19H,1-3H2/t4-,5-,6+,7-,8-,9+,10-,11+,12+/m0/s1
ChemAxon
InChIKey
InChIKey=FDCIWBIYHZDLEG-BBBNVXSOSA-N
ChemAxon
Polar Surface Area (PSA)
169.3
ChemAxon
Refractivity
66.83
ChemAxon
Polarizability
30.67
ChemAxon
Rotatable Bond Count
4
ChemAxon
H Bond Acceptor Count
10
ChemAxon
H Bond Donor Count
7
ChemAxon
pKa (strongest acidic)
11.98
ChemAxon
pKa (strongest basic)
-3
ChemAxon
Physiological Charge
0
ChemAxon
Number of Rings
2
ChemAxon
Bioavailability
1
ChemAxon
PubChem Compound
46936629
PubChem Substance
46507891
PDB
DOM
"
|
| owl:sameAs |
All properties reside in the graph file:///home/swish/src/ClioPatria/guidelines/drugbank_small.nt
The resource does not appear as an object