[(3R,6R)-3,4,5-triacetyloxy-6-[[(2R)-5-oxo-2H-furan-2-yl]methoxy]oxan-2-yl]methyl acetate

C19H24O12 — CID 134844550

About [(3R,6R)-3,4,5-triacetyloxy-6-[[(2R)-5-oxo-2H-furan-2-yl]methoxy]oxan-2-yl]methyl acetate

[(3R,6R)-3,4,5-triacetyloxy-6-[[(2R)-5-oxo-2H-furan-2-yl]methoxy]oxan-2-yl]methyl acetate (PubChem CID 134844550) has the molecular formula C19H24O12 and a molecular weight of 444.39 g/mol. Its IUPAC name is [(3R,6R)-3,4,5-triacetyloxy-6-[[(2R)-5-oxo-2H-furan-2-yl]methoxy]oxan-2-yl]methyl acetate.

Molecular Properties

• Compound Name: [(3R,6R)-3,4,5-triacetyloxy-6-[[(2R)-5-oxo-2H-furan-2-yl]methoxy]oxan-2-yl]methyl acetate
• PubChem CID: 134844550
• Molecular Formula: C19H24O12
• Molecular Weight: 444.39 g/mol
• Exact Mass: 444.13
• IUPAC Name: [(3R,6R)-3,4,5-triacetyloxy-6-[[(2R)-5-oxo-2H-furan-2-yl]methoxy]oxan-2-yl]methyl acetate
• SMILES: CC(=O)OCC1O[C@@H](OC[C@H]2C=CC(=O)O2)C(OC(C)=O)C(OC(C)=O)[C@@H]1OC(C)=O
• InChI: InChI=1S/C19H24O12/c1-9(20)25-8-14-16(27-10(2)21)17(28-11(3)22)18(29-12(4)23)19(31-14)26-7-13-5-6-15(24)30-13/h5-6,13-14,16-19H,7-8H2,1-4H3/t13-,14?,16-,17?,18?,19-/m1/s1
• InChIKey: RKKFEBLBGMUVGU-KCHOLMKKSA-N
• XLogP: -0.43
• TPSA: 149.96 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 8
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	444.39
LogP ≤ 5	-0.43
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [(3R,6R)-3,4,5-triacetyloxy-6-[[(2R)-5-oxo-2H-furan-2-yl]methoxy]oxan-2-yl]methyl acetate?

The IUPAC name of [(3R,6R)-3,4,5-triacetyloxy-6-[[(2R)-5-oxo-2H-furan-2-yl]methoxy]oxan-2-yl]methyl acetate (CID 134844550) is [(3R,6R)-3,4,5-triacetyloxy-6-[[(2R)-5-oxo-2H-furan-2-yl]methoxy]oxan-2-yl]methyl acetate.

What is the SMILES notation for [(3R,6R)-3,4,5-triacetyloxy-6-[[(2R)-5-oxo-2H-furan-2-yl]methoxy]oxan-2-yl]methyl acetate?

The canonical SMILES for [(3R,6R)-3,4,5-triacetyloxy-6-[[(2R)-5-oxo-2H-furan-2-yl]methoxy]oxan-2-yl]methyl acetate is CC(=O)OCC1O[C@@H](OC[C@H]2C=CC(=O)O2)C(OC(C)=O)C(OC(C)=O)[C@@H]1OC(C)=O.

What is the InChIKey of [(3R,6R)-3,4,5-triacetyloxy-6-[[(2R)-5-oxo-2H-furan-2-yl]methoxy]oxan-2-yl]methyl acetate?

The InChIKey is RKKFEBLBGMUVGU-KCHOLMKKSA-N. The full InChI is InChI=1S/C19H24O12/c1-9(20)25-8-14-16(27-10(2)21)17(28-11(3)22)18(29-12(4)23)19(31-14)26-7-13-5-6-15(24)30-13/h5-6,13-14,16-19H,7-8H2,1-4H3/t13-,14?,16-,17?,18?,19-/m1/s1.

What are the key properties of [(3R,6R)-3,4,5-triacetyloxy-6-[[(2R)-5-oxo-2H-furan-2-yl]methoxy]oxan-2-yl]methyl acetate?

[(3R,6R)-3,4,5-triacetyloxy-6-[[(2R)-5-oxo-2H-furan-2-yl]methoxy]oxan-2-yl]methyl acetate has a molecular weight of 444.39 g/mol, XLogP of -0.43, 8 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for [(3R,6R)-3,4,5-triacetyloxy-6-[[(2R)-5-oxo-2H-furan-2-yl]methoxy]oxan-2-yl]methyl acetate is sourced from PubChem (CID 134844550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).