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Home Aldehydes 4-(((2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)benzaldehyde

4-(((2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)benzaldehyde

CAS No.:
26993-16-8
Catalog Number:
AG00BDF3
Molecular Formula:
C13H16O7
Molecular Weight:
284.2619
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
97%
1 week
United States
$216
- +
1g
97%
1 week
United States
$484
- +
5g
97%
1 week
United States
$1375
- +
Product Description
Catalog Number:
AG00BDF3
Chemical Name:
4-(((2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)benzaldehyde
CAS Number:
26993-16-8
Molecular Formula:
C13H16O7
Molecular Weight:
284.2619
MDL Number:
MFCD08704111
IUPAC Name:
4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzaldehyde
InChI:
InChI=1S/C13H16O7/c14-5-7-1-3-8(4-2-7)19-13-12(18)11(17)10(16)9(6-15)20-13/h1-5,9-13,15-18H,6H2/t9-,10-,11+,12-,13-/m1/s1
InChI Key:
OLZAGZCCJJBKNZ-UJPOAAIJSA-N
SMILES:
OC[C@H]1O[C@@H](Oc2ccc(cc2)C=O)[C@@H]([C@H]([C@@H]1O)O)O
Properties
Complexity:
316  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
5  
Defined Bond Stereocenter Count:
0
Exact Mass:
284.09g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
284.264g/mol
Monoisotopic Mass:
284.09g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
116A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.9  
Literature
Title Journal
[Constituents of Gymnadenia conopsea]. Zhongguo Zhong yao za zhi = Zhongguo zhongyao zazhi = China journal of Chinese materia medica 20101101
Quantitative determination of helicid in rat biosamples by liquid chromatography electrospray ionization mass spectrometry. Journal of chromatography. B, Analytical technologies in the biomedical and life sciences 20100315
Discovery of 4-functionalized phenyl-O-beta-D-glycosides as a new class of mushroom tyrosinase inhibitors. Bioorganic & medicinal chemistry letters 20091101
Synthesis and evaluation of 5-benzylidene(thio)barbiturate-beta-D-glycosides as mushroom tyrosinase inhibitors. Bioorganic & medicinal chemistry letters 20090801
Synthesis and biological evaluation of helicid analogues as mushroom tyrosinase inhibitors. Bioorganic & medicinal chemistry letters 20081215
Quantitative determination of helicid in rat plasma by liquid chromatography-electrospray ionization mass spectrometry and its application to preliminary pharmacokinetic studies. Journal of chromatography. B, Analytical technologies in the biomedical and life sciences 20070301
[Study on chemical constituents in seeds of Helicia nilagirica (II)]. Zhongguo Zhong yao za zhi = Zhongguo zhongyao zazhi = China journal of Chinese materia medica 20050601
Properties