Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB01870"
| Predicate | Value (sorted: none) |
|---|---|
| rdfs:label |
"1,4-Dithio-Alpha-D-Mannose"
|
| drugbank:description |
"
experimental
This compound belongs to the hexoses. These are monosaccharides in which the sugar unit is a hexose.
Hexoses
Organic Compounds
Organooxygen Compounds
Carbohydrates and Carbohydrate Conjugates
Monosaccharides
Oxanes
Secondary Alcohols
1,2-Diols
Ethers
Primary Alcohols
Alkylthiols
Polyamines
oxane
1,2-diol
secondary alcohol
primary alcohol
polyamine
ether
alkylthiol
alcohol
logP
-0.41
ALOGPS
logS
-1.4
ALOGPS
Water Solubility
8.09e+00 g/l
ALOGPS
logP
-1
ChemAxon
IUPAC Name
(2S,3R,4R,5S,6R)-6-(hydroxymethyl)-2,5-disulfanyloxane-3,4-diol
ChemAxon
Traditional IUPAC Name
1,4-dithio-α-D-mannose
ChemAxon
Molecular Weight
212.287
ChemAxon
Monoisotopic Weight
212.017700252
ChemAxon
SMILES
OC[C@H]1O[C@@H](S)[C@H](O)[C@@H](O)[C@@H]1S
ChemAxon
Molecular Formula
C6H12O4S2
ChemAxon
InChI
InChI=1S/C6H12O4S2/c7-1-2-5(11)3(8)4(9)6(12)10-2/h2-9,11-12H,1H2/t2-,3-,4-,5-,6+/m1/s1
ChemAxon
InChIKey
InChIKey=MUOMBPNNVXJUGT-UKFBFLRUSA-N
ChemAxon
Polar Surface Area (PSA)
69.92
ChemAxon
Refractivity
48.35
ChemAxon
Polarizability
20.36
ChemAxon
Rotatable Bond Count
1
ChemAxon
H Bond Acceptor Count
4
ChemAxon
H Bond Donor Count
5
ChemAxon
pKa (strongest acidic)
8.59
ChemAxon
pKa (strongest basic)
-3
ChemAxon
Physiological Charge
0
ChemAxon
Number of Rings
1
ChemAxon
Bioavailability
1
ChemAxon
Rule of Five
true
ChemAxon
PubChem Compound
445999
PubChem Substance
46506459
ChemSpider
3675759
PDB
MA1
BE0004457
Alpha-amylase 2B
Human
# Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. "Pubmed":http://www.ncbi.nlm.nih.gov/pubmed/17139284
# Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34. "Pubmed":http://www.ncbi.nlm.nih.gov/pubmed/17016423
# Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42. "Pubmed":http://www.ncbi.nlm.nih.gov/pubmed/10592235
unknown
Alpha-amylase 2B
AMY2B
Human
UniProtKB
P19961
UniProt Accession
AMY2B_HUMAN
"
|
| rdf:type | |
| owl:sameAs |
All properties reside in the graph file:///home/swish/src/ClioPatria/guidelines3/drugbank_small.nt
The resource does not appear as an object