Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB02418"
| Predicate | Value (sorted: none) |
|---|---|
| rdf:type | |
| rdfs:label |
"(R,R)-2,3-Butanediol"
|
| drugbank:description |
"
24347-58-8
experimental
This compound belongs to the secondary alcohols. These are compounds containing a secondary alcohol functional group, with the general structure HOC(R)(R') (R,R'=alkyl, aryl).
Secondary Alcohols
Organic Compounds
Organooxygen Compounds
Alcohols and Polyols
Secondary Alcohols
1,2-Diols
Polyamines
polyamine
logP
-0.59
ALOGPS
logS
0.83
ALOGPS
Water Solubility
6.03e+02 g/l
ALOGPS
logP
-0.38
ChemAxon
IUPAC Name
(2R,3S)-butane-2,3-diol
ChemAxon
Traditional IUPAC Name
(R,R)-2,3-butanediol
ChemAxon
Molecular Weight
90.121
ChemAxon
Monoisotopic Weight
90.068079564
ChemAxon
SMILES
C[C@@H](O)[C@H](C)O
ChemAxon
Molecular Formula
C4H10O2
ChemAxon
InChI
InChI=1S/C4H10O2/c1-3(5)4(2)6/h3-6H,1-2H3/t3-,4+
ChemAxon
InChIKey
InChIKey=OWBTYPJTUOEWEK-ZXZARUISSA-N
ChemAxon
Polar Surface Area (PSA)
40.46
ChemAxon
Refractivity
23.39
ChemAxon
Polarizability
9.83
ChemAxon
Rotatable Bond Count
1
ChemAxon
H Bond Acceptor Count
2
ChemAxon
H Bond Donor Count
2
ChemAxon
pKa (strongest acidic)
14.22
ChemAxon
pKa (strongest basic)
-3
ChemAxon
Physiological Charge
0
ChemAxon
Number of Rings
0
ChemAxon
Bioavailability
1
ChemAxon
Rule of Five
true
ChemAxon
Boiling Point
77.3-77.4 °C at 1.00E+01 mm Hg
ChEBI
16982
PubChem Compound
220010
PubChem Substance
46506166
KEGG Compound
C03044
ChemSpider
21106093
PDB
BU3
BE0004530
Ubiquitin-conjugating enzyme E2 D2
Human
# Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. "Pubmed":http://www.ncbi.nlm.nih.gov/pubmed/17139284
# Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34. "Pubmed":http://www.ncbi.nlm.nih.gov/pubmed/17016423
# Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42. "Pubmed":http://www.ncbi.nlm.nih.gov/pubmed/10592235
unknown
Ubiquitin-conjugating enzyme E2 D2
UBE2D2
Human
UniProtKB
P62837
UniProt Accession
UB2D2_HUMAN
"
|
| 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