Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB03402"
| Predicate | Value (sorted: default) |
|---|---|
| rdfs:label |
"1,2-Di-1-(3,7,11,15-Tetramethyl-Hexadecane)-Sn-Glycero-3-Phosphate"
|
| rdf:type | |
| drugbank: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
Organophosphate Esters
Organic Phosphoric Acids
Polyamines
Ethers
phosphoric acid ester
organic phosphate
polyamine
ether
logP
9.73
ALOGPS
logS
-7.2
ALOGPS
Water Solubility
5.11e-05 g/l
ALOGPS
logP
14.94
ChemAxon
IUPAC Name
[(2S)-2-{[(3R,7S,11R)-3,7,11,15-tetramethylhexadecyl]oxy}-3-{[(3S,7R,11S)-3,7,11,15-tetramethylhexadecyl]oxy}propoxy]phosphonic acid
ChemAxon
Traditional IUPAC Name
(2S)-2-{[(3R,7S,11R)-3,7,11,15-tetramethylhexadecyl]oxy}-3-{[(3S,7R,11S)-3,7,11,15-tetramethylhexadecyl]oxy}propoxyphosphonic acid
ChemAxon
Molecular Weight
733.1369
ChemAxon
Monoisotopic Weight
732.639677092
ChemAxon
SMILES
CC(C)CCC[C@H](C)CCC[C@@H](C)CCC[C@H](C)CCOC[C@@H](COP(O)(O)=O)OCC[C@H](C)CCC[C@@H](C)CCC[C@H](C)CCCC(C)C
ChemAxon
Molecular Formula
C43H89O6P
ChemAxon
InChI
InChI=1S/C43H89O6P/c1-35(2)17-11-19-37(5)21-13-23-39(7)25-15-27-41(9)29-31-47-33-43(34-49-50(44,45)46)48-32-30-42(10)28-16-26-40(8)24-14-22-38(6)20-12-18-36(3)4/h35-43H,11-34H2,1-10H3,(H2,44,45,46)/t37-,38+,39+,40-,41-,42+,43-/m0/s1
ChemAxon
InChIKey
InChIKey=UKQGAMWGTOTQPC-NARORWSISA-N
ChemAxon
Polar Surface Area (PSA)
85.22
ChemAxon
Refractivity
215.45
ChemAxon
Polarizability
94.11
ChemAxon
Rotatable Bond Count
36
ChemAxon
H Bond Acceptor Count
5
ChemAxon
H Bond Donor Count
2
ChemAxon
pKa (strongest acidic)
1.25
ChemAxon
pKa (strongest basic)
-3.9
ChemAxon
Physiological Charge
-2
ChemAxon
Number of Rings
0
ChemAxon
Bioavailability
0
ChemAxon
PubChem Compound
46936662
PubChem Substance
46509103
PDB
L1P
"
|
| owl:sameAs |
All properties reside in the graph file:///home/swish/src/ClioPatria/guidelines2/drugbank_small.nt
The resource does not appear as an object