Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB03646"
| Predicate | Value (sorted: default) |
|---|---|
| rdfs:label |
"1,2-Di-1-(3,7,11,15-Tetramethyl-Hexadecane)-Sn-Glycerol"
|
| rdf:type | |
| ns1:description |
"
experimental
This compound belongs to the acyclic diterpenes. These are diterpenes (compounds made of four consecutive isoprene units) that do not contain a cycle.
Acyclic Diterpenes
Organic Compounds
Lipids
Prenol Lipids
Diterpenes
Primary Alcohols
Polyamines
Ethers
ether
polyamine
primary alcohol
alcohol
logP
10.1
ALOGPS
logS
-8
ALOGPS
Water Solubility
6.11e-06 g/l
ALOGPS
logP
15.06
ChemAxon
IUPAC Name
(2S)-2-{[(3R,7S,11R)-3,7,11,15-tetramethylhexadecyl]oxy}-3-{[(3R,7S,11S)-3,7,11,15-tetramethylhexadecyl]oxy}propan-1-ol
ChemAxon
Traditional IUPAC Name
(2S)-2-{[(3R,7S,11R)-3,7,11,15-tetramethylhexadecyl]oxy}-3-{[(3R,7S,11S)-3,7,11,15-tetramethylhexadecyl]oxy}propan-1-ol
ChemAxon
Molecular Weight
653.157
ChemAxon
Monoisotopic Weight
652.673346682
ChemAxon
SMILES
CC(C)CCC[C@H](C)CCC[C@H](C)CCC[C@@H](C)CCOC[C@H](CO)OCC[C@H](C)CCC[C@@H](C)CCC[C@H](C)CCCC(C)C
ChemAxon
Molecular Formula
C43H88O3
ChemAxon
InChI
InChI=1S/C43H88O3/c1-35(2)17-11-19-37(5)21-13-23-39(7)25-15-27-41(9)29-31-45-34-43(33-44)46-32-30-42(10)28-16-26-40(8)24-14-22-38(6)20-12-18-36(3)4/h35-44H,11-34H2,1-10H3/t37-,38+,39-,40-,41+,42+,43-/m0/s1
ChemAxon
InChIKey
InChIKey=ISDBCJSGCHUHFI-FOLKXJRZSA-N
ChemAxon
Polar Surface Area (PSA)
38.69
ChemAxon
Refractivity
204.58
ChemAxon
Polarizability
88.78
ChemAxon
Rotatable Bond Count
34
ChemAxon
H Bond Acceptor Count
3
ChemAxon
H Bond Donor Count
1
ChemAxon
pKa (strongest acidic)
14.6
ChemAxon
pKa (strongest basic)
-3
ChemAxon
Physiological Charge
0
ChemAxon
Number of Rings
0
ChemAxon
Bioavailability
0
ChemAxon
PubChem Compound
46936742
PubChem Substance
46508999
PDB
L2P
"
|
| 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