Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB04346"
| Predicate | Value (sorted: none) |
|---|---|
| owl:sameAs | |
| drugbank:description |
"
experimental
This compound belongs to the oxolanes. These are organic compounds containing an oxolane (tetrahydrofuran) ring, which is a saturated aliphatic five-member ring containing one oxygen and five carbon atoms.
Oxolanes
Organic Compounds
Heterocyclic Compounds
Oxolanes
Tetrahydrofurans
Polyols
Secondary Alcohols
Hemiacetals
Polyamines
Carbonyl Hydrates
hemiacetal
polyol
secondary alcohol
ether
carbonyl hydrate
polyamine
alcohol
logP
-2
ALOGPS
logS
0.71
ALOGPS
Water Solubility
7.66e+02 g/l
ALOGPS
logP
-1.6
ChemAxon
IUPAC Name
(2S,4R)-2-methyloxolane-2,3,3,4-tetrol
ChemAxon
Traditional IUPAC Name
(2S,4R)-2-methyloxolane-2,3,3,4-tetrol
ChemAxon
Molecular Weight
150.1299
ChemAxon
Monoisotopic Weight
150.05282343
ChemAxon
SMILES
C[C@]1(O)OC[C@@H](O)C1(O)O
ChemAxon
Molecular Formula
C5H10O5
ChemAxon
InChI
InChI=1S/C5H10O5/c1-4(7)5(8,9)3(6)2-10-4/h3,6-9H,2H2,1H3/t3-,4+/m1/s1
ChemAxon
InChIKey
InChIKey=BVIYGXUQVXBHQS-DMTCNVIQSA-N
ChemAxon
Polar Surface Area (PSA)
90.15
ChemAxon
Refractivity
30.49
ChemAxon
Polarizability
13.34
ChemAxon
Rotatable Bond Count
0
ChemAxon
H Bond Acceptor Count
5
ChemAxon
H Bond Donor Count
4
ChemAxon
pKa (strongest acidic)
9.16
ChemAxon
pKa (strongest basic)
-4
ChemAxon
Physiological Charge
0
ChemAxon
Number of Rings
1
ChemAxon
Bioavailability
1
ChemAxon
Rule of Five
true
ChemAxon
PubChem Compound
46936952
PubChem Substance
46505649
PDB
PAV
BE0003287
Autoinducer 2-binding protein LsrB
Salmonella typhi
unknown
Autoinducer 2-binding protein LsrB
Carbohydrate transport and metabolism
lsrB
None
6.95
36788.0
Salmonella typhi
GenBank Gene Database
AL627279
UniProtKB
Q8Z2X8
UniProt Accession
LSRB_SALTI
>Putative ABC transport protein, solute-binding component
MARHSIKMIALLTAFGLASAVMTVQAAERIAFIPKLVGVGFFTSGGNGAQEAGKALGIDV
TYDGPTEPSVSGQVQLVNNFVNQGYDAIIVSAVSPDGLCPALKRAMQRGVKILTWDSDTK
PECRSYYINQGTPKQLGSMLVEMAAHQVDKEKAKVAFFYSSPTVTDQNQWVKEAKAKISQ
EHPGWEIVTTQFGYNDATKSLQTAEGIIKAYPDLDAIIAPDANALPAAAQAAENLKRNNL
AIVGFSTPNVMRPYVQRGTVKEFGLWDVVQQGKISVYVANALLKNMPMNVGDSLDIPGIG
KVTVSPNSEQGYHYEAKGNGIVLLPERVIFNKDNIDKYDF
>1023 bp
TCAGAAATCATATTTGTCGATATTGTCTTTGTTGAAAATGACACGCTCTGGCAATAACAC
AATGCCGTTACCTTTTGCCTCATAGTGATATCCCTGCTCACTATTAGGTGAAACGGTGAC
TTTGCCGATGCCGGGAATATCCAGTGAATCACCGACATTCATTGGCATATTTTTCAGCAA
CGCGTTGGCGACATATACGGAAATTTTTCCCTGTTGGACGACATCCCACAGGCCAAACTC
TTTAACAGTGCCGCGCTGAACATAAGGGCGCATTACATTCGGCGTACTAAAACCAACAAT
CGCGAGATTATTACGTTTAAGGTTCTCCGCCGCCTGTGCCGCAGCAGGTAAAGCGTTAGC
GTCAGGCGCGATGATGGCATCCAGATCGGGATACGCTTTGATGATACCTTCCGCCGTCTG
GAGCGATTTCGTGGCATCGTTATAGCCAAACTGGGTAGTGACTATCTCCCACCCTGGATG
TTCCTGGCTAATTTTGGCTTTAGCTTCTTTTACCCACTGGTTCTGGTCGGTCACCGTTGG
GCTGGAATAGAAGAAAGCGACTTTCGCTTTCTCTTTGTCCACCTGATGAGCGGCCATCTC
TACCAGCATGCTGCCGAGCTGTTTTGGCGTCCCTTGATTGATATAGTAAGAACGGCACTC
CGGCTTGGTATCGGAATCCCAGGTTAATATTTTCACGCCTCTTTGCATTGCCCGCTTCAA
CGCCGGGCACAGGCCATCAGGCGAAACGGCAGAAACGATAATGGCGTCATACCCCTGATT
GACAAAGTTATTCACCAGTTGAACCTGGCCTGAGACGCTGGGCTCTGTAGGGCCATCGTA
AGTTACGTCAATGCCCAGCGCTTTTCCCGCTTCCTGCGCGCCATTGCCGCCGCTGGTAAA
AAAGCCCACGCCAACCAGTTTGGGAATAAAAGCAATCCGCTCTGCCGCCTGCACGGTCAT
TACCGCAGATGCCAGACCAAACGCAGTGAGTAAGGCGATCATTTTAATGCTGTGTCTTGC
CAT
"
|
| rdf:type | |
| rdfs:label |
"(2r,4s)-2-Methyl-2,3,3,4-Tetrahydroxytetrahydrofuran"
|
All properties reside in the graph file:///home/swish/src/ClioPatria/guidelines3/drugbank_small.nt
The resource does not appear as an object