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25941-03-1 | D-Mannopyranose, 1,2,3,4,6-pentaacetate
CAS No: 25941-03-1 Catalog No: AG002R5G MDL No:MFCD05864874
Product Description
Catalog Number:
AG002R5G
Chemical Name:
D-Mannopyranose, 1,2,3,4,6-pentaacetate
CAS Number:
25941-03-1
Molecular Formula:
C16H22O11
Molecular Weight:
390.3393
MDL Number:
MFCD05864874
IUPAC Name:
[(2R,3R,4S,5S)-3,4,5,6-tetraacetyloxyoxan-2-yl]methyl acetate
InChI:
InChI=1S/C16H22O11/c1-7(17)22-6-12-13(23-8(2)18)14(24-9(3)19)15(25-10(4)20)16(27-12)26-11(5)21/h12-16H,6H2,1-5H3/t12-,13-,14+,15+,16?/m1/s1
InChI Key:
LPTITAGPBXDDGR-WHWZVRATSA-N
SMILES:
CC(=O)OC[C@H]1OC(OC(=O)C)[C@H]([C@H]([C@@H]1OC(=O)C)OC(=O)C)OC(=O)C
Properties
Complexity:
599
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
390.116g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
11
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
390.341g/mol
Monoisotopic Mass:
390.116g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
141A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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