(1E)-1-[(3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-ylidene]propan-2-one

C15H24O11 — CID 143554050

About (1E)-1-[(3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-ylidene]propan-2-one

(1E)-1-[(3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-ylidene]propan-2-one (PubChem CID 143554050) has the molecular formula C15H24O11 and a molecular weight of 380.35 g/mol. Its IUPAC name is (1E)-1-[(3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-ylidene]propan-2-one.

Molecular Properties

• Compound Name: (1E)-1-[(3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-ylidene]propan-2-one
• PubChem CID: 143554050
• Molecular Formula: C15H24O11
• Molecular Weight: 380.35 g/mol
• Exact Mass: 380.13
• IUPAC Name: (1E)-1-[(3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-ylidene]propan-2-one
• SMILES: CC(=O)/C=C1/O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O
• InChI: InChI=1S/C15H24O11/c1-5(18)2-6-9(19)12(22)14(8(4-17)24-6)26-15-13(23)11(21)10(20)7(3-16)25-15/h2,7-17,19-23H,3-4H2,1H3/b6-2+/t7-,8-,9+,10+,11+,12-,13-,14-,15+/m1/s1
• InChIKey: MJIDWZWXYYVPCH-BZOIHTTKSA-N
• XLogP: -4.24
• TPSA: 186.37 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 11
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	380.35
LogP ≤ 5	-4.24
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (1E)-1-[(3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-ylidene]propan-2-one?

The IUPAC name of (1E)-1-[(3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-ylidene]propan-2-one (CID 143554050) is (1E)-1-[(3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-ylidene]propan-2-one.

What is the SMILES notation for (1E)-1-[(3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-ylidene]propan-2-one?

The canonical SMILES for (1E)-1-[(3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-ylidene]propan-2-one is CC(=O)/C=C1/O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O.

What is the InChIKey of (1E)-1-[(3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-ylidene]propan-2-one?

The InChIKey is MJIDWZWXYYVPCH-BZOIHTTKSA-N. The full InChI is InChI=1S/C15H24O11/c1-5(18)2-6-9(19)12(22)14(8(4-17)24-6)26-15-13(23)11(21)10(20)7(3-16)25-15/h2,7-17,19-23H,3-4H2,1H3/b6-2+/t7-,8-,9+,10+,11+,12-,13-,14-,15+/m1/s1.

What are the key properties of (1E)-1-[(3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-ylidene]propan-2-one?

(1E)-1-[(3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-ylidene]propan-2-one has a molecular weight of 380.35 g/mol, XLogP of -4.24, 5 rotatable bonds, 7 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for (1E)-1-[(3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-ylidene]propan-2-one is sourced from PubChem (CID 143554050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).