About L-Fru(a2-3)b-Glc1Me
L-Fru(a2-3)b-Glc1Me (PubChem CID 102354559) has the molecular formula C13H24O11
and a molecular weight of 356.32 g/mol. Its IUPAC name is (2S,3R,4S,5S)-2-[(2R,3R,4S,5R,6R)-3,5-dihydroxy-2-(hydroxymethyl)-6-methoxyoxan-4-yl]oxy-2-(hydroxymethyl)oxane-3,4,5-triol.
Molecular Properties
| Compound Name | L-Fru(a2-3)b-Glc1Me |
|---|
| PubChem CID | 102354559 |
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| Molecular Formula | C13H24O11 |
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| Molecular Weight | 356.32 g/mol |
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| Exact Mass | 356.13 |
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| IUPAC Name | (2S,3R,4S,5S)-2-[(2R,3R,4S,5R,6R)-3,5-dihydroxy-2-(hydroxymethyl)-6-methoxyoxan-4-yl]oxy-2-(hydroxymethyl)oxane-3,4,5-triol |
|---|
| SMILES | CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O[C@]2([C@@H]([C@H]([C@H](CO2)O)O)O)CO)O |
|---|
| InChI | InChI=1S/C13H24O11/c1-21-12-9(19)10(8(18)6(2-14)23-12)24-13(4-15)11(20)7(17)5(16)3-22-13/h5-12,14-20H,2-4H2,1H3/t5-,6+,7-,8+,9+,10-,11+,12+,13-/m0/s1 |
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| InChIKey | NOUXICQRONGKJF-FYKMFITLSA-N |
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| XLogP | -3.70 |
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| TPSA | 179.00 Ų |
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| H-Bond Donors | 7 |
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| H-Bond Acceptors | 11 |
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| Rotatable Bonds | 5 |
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| Heavy Atoms | 24 |
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| Complexity | 409 |
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Lipinski Rule of Five
2 violations
| Rule | Value |
|---|
| MW ≤ 500 | 356.32 |
| LogP ≤ 5 | -3.70 |
| H-Bond Donors ≤ 5 | 7 |
| H-Bond Acceptors ≤ 10 | 11 |
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Frequently Asked Questions
What is the IUPAC name of L-Fru(a2-3)b-Glc1Me?
The IUPAC name of L-Fru(a2-3)b-Glc1Me (CID 102354559) is (2S,3R,4S,5S)-2-[(2R,3R,4S,5R,6R)-3,5-dihydroxy-2-(hydroxymethyl)-6-methoxyoxan-4-yl]oxy-2-(hydroxymethyl)oxane-3,4,5-triol.
What is the SMILES notation for L-Fru(a2-3)b-Glc1Me?
The canonical SMILES for L-Fru(a2-3)b-Glc1Me is CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O[C@]2([C@@H]([C@H]([C@H](CO2)O)O)O)CO)O.
What is the InChIKey of L-Fru(a2-3)b-Glc1Me?
The InChIKey is NOUXICQRONGKJF-FYKMFITLSA-N. The full InChI is InChI=1S/C13H24O11/c1-21-12-9(19)10(8(18)6(2-14)23-12)24-13(4-15)11(20)7(17)5(16)3-22-13/h5-12,14-20H,2-4H2,1H3/t5-,6+,7-,8+,9+,10-,11+,12+,13-/m0/s1.
What are the key properties of L-Fru(a2-3)b-Glc1Me?
L-Fru(a2-3)b-Glc1Me has a molecular weight of 356.32 g/mol, XLogP of -3.70, 5 rotatable bonds, 7 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for L-Fru(a2-3)b-Glc1Me is sourced from PubChem (CID 102354559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).