Home Halogens D-xylo-Pentodialdo-5,2-furanose, 1-C-[4-chloro-3-[(4-ethoxyphenyl)Methyl]phenyl]-4,5-O-(1-Methylethylidene)-,(5S)-

D-xylo-Pentodialdo-5,2-furanose, 1-C-[4-chloro-3-[(4-ethoxyphenyl)Methyl]phenyl]-4,5-O-(1-Methylethylidene)-,(5S)-

CAS No.:
1103738-30-2
Catalog Number:
AG008TFM
Molecular Formula:
C23H25ClO6
Molecular Weight:
432.8940
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Product Description
Catalog Number:
AG008TFM
Chemical Name:
D-xylo-Pentodialdo-5,2-furanose, 1-C-[4-chloro-3-[(4-ethoxyphenyl)Methyl]phenyl]-4,5-O-(1-Methylethylidene)-,(5S)-
CAS Number:
1103738-30-2
Molecular Formula:
C23H25ClO6
Molecular Weight:
432.8940
MDL Number:
MFCD25977360
IUPAC Name:
[(3aS,5R,6S,6aS)-6-hydroxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]methanone
InChI:
InChI=1S/C23H25ClO6/c1-4-27-16-8-5-13(6-9-16)11-15-12-14(7-10-17(15)24)18(25)20-19(26)21-22(28-20)30-23(2,3)29-21/h5-10,12,19-22,26H,4,11H2,1-3H3/t19-,20+,21+,22+/m1/s1
InChI Key:
TUBVOYXRJBKZBN-MLNNCEHLSA-N
SMILES:
CCOc1ccc(cc1)Cc1cc(ccc1Cl)C(=O)[C@@H]1O[C@@H]2[C@H]([C@@H]1O)OC(O2)(C)C
EC Number:
695-300-7
Properties
Complexity:
605  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
4  
Defined Bond Stereocenter Count:
0
Exact Mass:
432.134g/mol
Formal Charge:
0
Heavy Atom Count:
30  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
432.897g/mol
Monoisotopic Mass:
432.134g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
74.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5  
Properties