3,4,6-Tri-O-acetyl-D-galactal

• CAS: 4098-06-0
• Catalog Number: ACM4098060
• Category: Other Products
• Molecular Weight: 272.25
• Molecular Formula: C12H16O7
• Synonyms: D- threeGalNAcene
• IUPAC Name: [(2R,3R,4R)-3,4-diacetyloxy-3,4-dihydro-2H-pyran-2-yl]methyl acetate
• Canonical SMILES: CC(=O)OC[C@@H]1[C@@H]([C@@H](C=CO1)OC(=O)C)OC(=O)C
• 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-IJLUTSLNSA-N
• Boiling Point: 138-140 °C
• Melting Point: 34-38 °C (lit.)
• Flash Point: >230°F
• Appearance: Pale yellow oil or solid
• Safety Description: 23-24/25
• Solubility In Water: Insoluble

Custom Q&A

What is the molecular formula of 3,4,6-Tri-O-acetyl-D-galactal?

The molecular formula of 3,4,6-Tri-O-acetyl-D-galactal is C12H16O7.

What is the molecular weight of 3,4,6-Tri-O-acetyl-D-galactal?

The molecular weight of 3,4,6-Tri-O-acetyl-D-galactal is 272.25 g/mol.

When was 3,4,6-Tri-O-acetyl-D-galactal created?

3,4,6-Tri-O-acetyl-D-galactal was created on July 19, 2005.

When was 3,4,6-Tri-O-acetyl-D-galactal last modified?

3,4,6-Tri-O-acetyl-D-galactal was last modified on December 30, 2023.

What is the IUPAC name of 3,4,6-Tri-O-acetyl-D-galactal?

The IUPAC name of 3,4,6-Tri-O-acetyl-D-galactal is [(2R,3R,4R)-3,4-diacetyloxy-3,4-dihydro-2H-pyran-2-yl]methyl acetate.

What is the InChI of 3,4,6-Tri-O-acetyl-D-galactal?

The InChI of 3,4,6-Tri-O-acetyl-D-galactal is 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.

What is the InChIKey of 3,4,6-Tri-O-acetyl-D-galactal?

The InChIKey of 3,4,6-Tri-O-acetyl-D-galactal is LLPWGHLVUPBSLP-IJLUTSLNSA-N.

What is the canonical SMILES of 3,4,6-Tri-O-acetyl-D-galactal?

The canonical SMILES of 3,4,6-Tri-O-acetyl-D-galactal is CC(=O)OCC1C(C(C=CO1)OC(=O)C)OC(=O)C.

What is the CAS number of 3,4,6-Tri-O-acetyl-D-galactal?

The CAS number of 3,4,6-Tri-O-acetyl-D-galactal is 4098-06-0.

What is the XLogP3-AA value of 3,4,6-Tri-O-acetyl-D-galactal?

The XLogP3-AA value of 3,4,6-Tri-O-acetyl-D-galactal is 0.2.

Synthetic Use

Upstream Synthesis Route 1

• 3068-32-4

• 4098-06-0

Reference: [1]Kovacs, Gyoengyver; Gyarmati, Julianna; Somsak, Laszlo; Micskei, Karoly
[Tetrahedron Letters, 1996, vol. 37, # 8, p. 1293 - 1296]

Downstream Synthesis Route 1

• 1666-13-3
• 4098-06-0

• 150809-76-0

Reference: [1]Tetrahedron Letters,1994,vol. 35,p. 3005 - 3008

* For details of the synthesis route, please refer to the original source to ensure accuracy.