CAS 4163-65-9 | 1,2,3,4,6-Penta-O-acetyl-α-D-mannopyranose | CAS Number 4163-65-9

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4163-65-9 | 1,2,3,4,6-Penta-O-acetyl-α-D-mannopyranose

CAS No: 4163-65-9 Catalog No: AG003A73 MDL No:MFCD00069798

Product Description

Catalog Number:

AG003A73

Chemical Name:

1,2,3,4,6-Penta-O-acetyl-α-D-mannopyranose

CAS Number:

4163-65-9

Molecular Formula:

C16H22O11

Molecular Weight:

390.3393

MDL Number:

MFCD00069798

IUPAC Name:

[(2R,3R,4S,5S,6R)-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-OWYFMNJBSA-N

SMILES:

CC(=O)OC[C@H]1O[C@H](OC(=O)C)[C@H]([C@H]([C@@H]1OC(=O)C)OC(=O)C)OC(=O)C

EC Number:

609-945-9

Properties

Complexity:

599

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

390.116g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

390.341g/mol

Monoisotopic Mass:

390.116g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

141A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.6

Literature

Title	Journal
Synthesis and molecular modelling of unsaturated exomethylene pyranonucleoside analogues with antitumor and antiviral activities.	European journal of medicinal chemistry 20080701
Facile preparation of peracetates and per-3-bromobenzoates of alpha-mono- and disaccharides.	Molecules (Basel, Switzerland) 20051031