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2873-29-2

2873-29-2 | D-arabino-Hex-1-enitol, 1,5-anhydro-2-deoxy-, 3,4,6-triacetate

CAS No: 2873-29-2 Catalog No: AG002WA2 MDL No:MFCD00063253

Product Description

Catalog Number:
AG002WA2
Chemical Name:
D-arabino-Hex-1-enitol, 1,5-anhydro-2-deoxy-, 3,4,6-triacetate
CAS Number:
2873-29-2
Molecular Formula:
C12H16O7
Molecular Weight:
272.2512
MDL Number:
MFCD00063253
IUPAC Name:
[(2R,3S,4R)-3,4-diacetyloxy-3,4-dihydro-2H-pyran-2-yl]methyl acetate
InChI:
InChI=1S/C12H16O7/c1-7(13)17-6-11-12(19-9(3)15)10(4-5-16-11)18-8(2)14/h4-5,10-12H,6H2,1-3H3/t10-,11-,12+/m1/s1
InChI Key:
LLPWGHLVUPBSLP-UTUOFQBUSA-N
SMILES:
CC(=O)OC[C@H]1OC=C[C@H]([C@@H]1OC(=O)C)OC(=O)C
EC Number:
220-709-0

Properties

Complexity:
388  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
3  
Defined Bond Stereocenter Count:
0
Exact Mass:
272.09g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
272.253g/mol
Monoisotopic Mass:
272.09g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
88.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2  

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