Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB02760"
| Predicate | Value (sorted: default) |
|---|---|
| rdfs:label |
"1,6-Di-O-Phosphono-D-Allitol"
|
| rdf:type | |
| ns1:description |
"
experimental
This compound belongs to the monosaccharide phosphates. These are monosaccharides comprising a phosphated group linked tot he carbohydrate unit.
Monosaccharide Phosphates
Organic Compounds
Organooxygen Compounds
Carbohydrates and Carbohydrate Conjugates
Monosaccharides
Hexoses
Organophosphate Esters
Organic Phosphoric Acids
Secondary Alcohols
1,2-Diols
Polyamines
organic phosphate
phosphoric acid ester
secondary alcohol
polyol
1,2-diol
polyamine
alcohol
logP
-1.7
ALOGPS
logS
-1.3
ALOGPS
Water Solubility
1.62e+01 g/l
ALOGPS
logP
-4
ChemAxon
IUPAC Name
{[(2R,3S,4S,5R)-2,3,4,5-tetrahydroxy-6-(phosphonooxy)hexyl]oxy}phosphonic acid
ChemAxon
Traditional IUPAC Name
[(2R,3S,4S,5R)-2,3,4,5-tetrahydroxy-6-(phosphonooxy)hexyl]oxyphosphonic acid
ChemAxon
Molecular Weight
342.1316
ChemAxon
Monoisotopic Weight
342.011699
ChemAxon
SMILES
O[C@H](COP(O)(O)=O)[C@H](O)[C@@H](O)[C@H](O)COP(O)(O)=O
ChemAxon
Molecular Formula
C6H16O12P2
ChemAxon
InChI
InChI=1S/C6H16O12P2/c7-3(1-17-19(11,12)13)5(9)6(10)4(8)2-18-20(14,15)16/h3-10H,1-2H2,(H2,11,12,13)(H2,14,15,16)/t3-,4-,5+,6+/m1/s1
ChemAxon
InChIKey
InChIKey=WOYYTQHMNDWRCW-ZXXMMSQZSA-N
ChemAxon
Polar Surface Area (PSA)
214.44
ChemAxon
Refractivity
60.15
ChemAxon
Polarizability
26.01
ChemAxon
Rotatable Bond Count
9
ChemAxon
H Bond Acceptor Count
10
ChemAxon
H Bond Donor Count
8
ChemAxon
pKa (strongest acidic)
1.19
ChemAxon
pKa (strongest basic)
-3.5
ChemAxon
Physiological Charge
-4
ChemAxon
Number of Rings
0
ChemAxon
Bioavailability
0
ChemAxon
PubChem Compound
449501
PubChem Substance
46505890
PDB
F2P
"
|
| 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