Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB02412"
| Predicate | Value (sorted: none) |
|---|---|
| rdf:type | |
| drugbank:description |
"
142-68-7
experimental
Marvin M. Crutchfield, Charles J. Upton, "Tetrahydropyran and 1,4-dioxane polycarboxylate compounds, methods for making such compounds and compositions and methods employing same." U.S. Patent US4102903, issued December, 1975.
This compound belongs to the oxanes. These are compounds containing an oxane(tetrahydropyran) ring, which is a six-member saturated aliphatic heterocycle with one oxygen atom and five carbon atoms.
Oxanes
Organic Compounds
Heterocyclic Compounds
Oxanes
Polyamines
Ethers
polyamine
ether
logP
1.16
ALOGPS
logS
-0.35
ALOGPS
Water Solubility
3.81e+01 g/l
ALOGPS
logP
0.97
ChemAxon
IUPAC Name
oxane
ChemAxon
Traditional IUPAC Name
tetrahydropyran
ChemAxon
Molecular Weight
86.1323
ChemAxon
Monoisotopic Weight
86.073164942
ChemAxon
SMILES
C1CCOCC1
ChemAxon
Molecular Formula
C5H10O
ChemAxon
InChI
InChI=1S/C5H10O/c1-2-4-6-5-3-1/h1-5H2
ChemAxon
InChIKey
InChIKey=DHXVGJBLRPWPCS-UHFFFAOYSA-N
ChemAxon
Polar Surface Area (PSA)
9.23
ChemAxon
Refractivity
25.15
ChemAxon
Polarizability
10.02
ChemAxon
Rotatable Bond Count
0
ChemAxon
H Bond Acceptor Count
1
ChemAxon
H Bond Donor Count
0
ChemAxon
pKa (strongest basic)
-4.1
ChemAxon
Physiological Charge
0
ChemAxon
Number of Rings
1
ChemAxon
Bioavailability
1
ChemAxon
Rule of Five
true
ChemAxon
Water Solubility
8.02E+004 mg/L (at 25 °C)
YALKOWSKY,SH & DANNENFELSER,RM (1992)
Melting Point
-45 °C
PhysProp
Boiling Point
88 °C
PhysProp
logP
0.95
HANSCH,C ET AL. (1995)
PubChem Compound
8894
PubChem Substance
46506602
KEGG Compound
C15345
ChemSpider
8554
PDB
PYE
Wikipedia
Tetrahydropyran
"
|
| rdfs:label |
"Tetrahydropyran"
|
| 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