About Npc119107
Npc119107 (PubChem CID 54676536) has the molecular formula C6H8O6
and a molecular weight of 176.12 g/mol. Its IUPAC name is (2R)-2-(1,2-dihydroxyethyl)-3,4-dihydroxy-2H-furan-5-one.
Molecular Properties
| Compound Name | Npc119107 |
|---|
| PubChem CID | 54676536 |
|---|
| Molecular Formula | C6H8O6 |
|---|
| Molecular Weight | 176.12 g/mol |
|---|
| Exact Mass | 176.03 |
|---|
| IUPAC Name | (2R)-2-(1,2-dihydroxyethyl)-3,4-dihydroxy-2H-furan-5-one |
|---|
| SMILES | C(C([C@@H]1C(=C(C(=O)O1)O)O)O)O |
|---|
| InChI | InChI=1S/C6H8O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,5,7-10H,1H2/t2?,5-/m1/s1 |
|---|
| InChIKey | CIWBSHSKHKDKBQ-DOAHDZERSA-N |
|---|
| XLogP | -1.60 |
|---|
| TPSA | 107.00 Ų |
|---|
| H-Bond Donors | 4 |
|---|
| H-Bond Acceptors | 6 |
|---|
| Rotatable Bonds | 2 |
|---|
| Heavy Atoms | 12 |
|---|
| Complexity | 232 |
|---|
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 176.12 |
| LogP ≤ 5 | -1.60 |
| H-Bond Donors ≤ 5 | 4 |
| H-Bond Acceptors ≤ 10 | 6 |
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Frequently Asked Questions
What is the IUPAC name of Npc119107?
The IUPAC name of Npc119107 (CID 54676536) is (2R)-2-(1,2-dihydroxyethyl)-3,4-dihydroxy-2H-furan-5-one.
What is the SMILES notation for Npc119107?
The canonical SMILES for Npc119107 is C(C([C@@H]1C(=C(C(=O)O1)O)O)O)O.
What is the InChIKey of Npc119107?
The InChIKey is CIWBSHSKHKDKBQ-DOAHDZERSA-N. The full InChI is InChI=1S/C6H8O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,5,7-10H,1H2/t2?,5-/m1/s1.
What are the key properties of Npc119107?
Npc119107 has a molecular weight of 176.12 g/mol, XLogP of -1.60, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for Npc119107 is sourced from PubChem (CID 54676536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).