Cas no 1213234-53-7 (1,2,3,4,6-Penta-O-pivaloyl-a-D-glucopyranoside)

1,2,3,4,6-Penta-O-pivaloyl-a-D-glucopyranoside structure
1213234-53-7 structure
Product Name:1,2,3,4,6-Penta-O-pivaloyl-a-D-glucopyranoside
CAS No:1213234-53-7
MF:C31H52O11
MW:600.737991333008
CID:3046077
PubChem ID:13829683
Update Time:2025-04-21

1,2,3,4,6-Penta-O-pivaloyl-a-D-glucopyranoside Chemical and Physical Properties

Names and Identifiers

    • 1,2,3,4,6-penta-O-pivaloyl-D-glucopyranoside
    • .(2R,3R,4S,5R,6R)-6-(pivaloyloxymethyl)tetrahydro-2H-pyran-2,3,4,5-tetrayl tetrakis(2,2-dimethylpropanoate);
    • 1,2,3,4,6-penta-O-pivaloyl--d-glucopyranose
    • [(2R,3R,4S,5R)-3,4,5,6-Tetrakis(2,2-dimethylpropanoyloxy)oxan-2-yl]methyl 2,2-dimethylpropanoate
    • F17149
    • 1213234-53-7
    • 1,2,3,4,6-Penta-O-pivaloyl-a-D-glucopyranoside
    • Inchi: 1S/C31H52O11/c1-27(2,3)22(32)37-16-17-18(39-23(33)28(4,5)6)19(40-24(34)29(7,8)9)20(41-25(35)30(10,11)12)21(38-17)42-26(36)31(13,14)15/h17-21H,16H2,1-15H3/t17-,18-,19+,20-,21?/m1/s1
    • InChI Key: PLXCBOJERHYNCS-AWGDKMGJSA-N
    • SMILES: O1C([C@@H]([C@H]([C@@H]([C@H]1COC(C(C)(C)C)=O)OC(C(C)(C)C)=O)OC(C(C)(C)C)=O)OC(C(C)(C)C)=O)OC(C(C)(C)C)=O

Computed Properties

  • Exact Mass: 600.35100
  • Monoisotopic Mass: 600.35096247Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 11
  • Heavy Atom Count: 42
  • Rotatable Bond Count: 16
  • Complexity: 1010
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 4
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 7.6
  • Topological Polar Surface Area: 141?2

Experimental Properties

  • PSA: 140.73000
  • LogP: 4.76360

1,2,3,4,6-Penta-O-pivaloyl-a-D-glucopyranoside Pricemore >>

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1,2,3,4,6-Penta-O-pivaloyl-a-D-glucopyranoside Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Sodium acetate Solvents: Acetonitrile ;  30 min, 60 °C
1.2 12 h, 80 °C
Reference
Per-O-acylation of glycans using in situ generated acid anhydride
Singhamahapatra, Anadi; et al, Trends in Carbohydrate Research, 2013, 5(3), 39-43

1,2,3,4,6-Penta-O-pivaloyl-a-D-glucopyranoside Raw materials

1,2,3,4,6-Penta-O-pivaloyl-a-D-glucopyranoside Preparation Products

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