methyl 5-formamido-2,4-dihydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylate

C11H19NO9 — CID 23829201

About methyl 5-formamido-2,4-dihydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylate

methyl 5-formamido-2,4-dihydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylate (PubChem CID 23829201) has the molecular formula C11H19NO9 and a molecular weight of 309.27 g/mol. Its IUPAC name is methyl 5-formamido-2,4-dihydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylate.

Molecular Properties

• Compound Name: methyl 5-formamido-2,4-dihydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylate
• PubChem CID: 23829201
• Molecular Formula: C11H19NO9
• Molecular Weight: 309.27 g/mol
• Exact Mass: 309.11
• IUPAC Name: methyl 5-formamido-2,4-dihydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylate
• SMILES: COC(=O)C1(O)CC(O)C(NC=O)C([C@H](O)[C@H](O)CO)O1
• InChI: InChI=1S/C11H19NO9/c1-20-10(18)11(19)2-5(15)7(12-4-14)9(21-11)8(17)6(16)3-13/h4-9,13,15-17,19H,2-3H2,1H3,(H,12,14)/t5?,6-,7?,8-,9?,11?/m1/s1
• InChIKey: VOQNSKPHOCQUGP-NTZLIZPOSA-N
• XLogP: -4.17
• TPSA: 165.78 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	309.27
LogP ≤ 5	-4.17
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of methyl 5-formamido-2,4-dihydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylate?

The IUPAC name of methyl 5-formamido-2,4-dihydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylate (CID 23829201) is methyl 5-formamido-2,4-dihydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylate.

What is the SMILES notation for methyl 5-formamido-2,4-dihydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylate?

The canonical SMILES for methyl 5-formamido-2,4-dihydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylate is COC(=O)C1(O)CC(O)C(NC=O)C([C@H](O)[C@H](O)CO)O1.

What is the InChIKey of methyl 5-formamido-2,4-dihydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylate?

The InChIKey is VOQNSKPHOCQUGP-NTZLIZPOSA-N. The full InChI is InChI=1S/C11H19NO9/c1-20-10(18)11(19)2-5(15)7(12-4-14)9(21-11)8(17)6(16)3-13/h4-9,13,15-17,19H,2-3H2,1H3,(H,12,14)/t5?,6-,7?,8-,9?,11?/m1/s1.

What are the key properties of methyl 5-formamido-2,4-dihydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylate?

methyl 5-formamido-2,4-dihydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylate has a molecular weight of 309.27 g/mol, XLogP of -4.17, 6 rotatable bonds, 6 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 5-formamido-2,4-dihydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylate is sourced from PubChem (CID 23829201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).