(2R,3R,4S,5R,7R,8R,9R,10R)-2-amino-3,4,5,7,8,9,10-heptahydroxyundecanedial

C11H21NO9 — CID 21126222

About (2R,3R,4S,5R,7R,8R,9R,10R)-2-amino-3,4,5,7,8,9,10-heptahydroxyundecanedial

(2R,3R,4S,5R,7R,8R,9R,10R)-2-amino-3,4,5,7,8,9,10-heptahydroxyundecanedial (PubChem CID 21126222) has the molecular formula C11H21NO9 and a molecular weight of 311.29 g/mol. Its IUPAC name is (2R,3R,4S,5R,7R,8R,9R,10R)-2-amino-3,4,5,7,8,9,10-heptahydroxyundecanedial.

Molecular Properties

• Compound Name: (2R,3R,4S,5R,7R,8R,9R,10R)-2-amino-3,4,5,7,8,9,10-heptahydroxyundecanedial
• PubChem CID: 21126222
• Molecular Formula: C11H21NO9
• Molecular Weight: 311.29 g/mol
• Exact Mass: 311.12
• IUPAC Name: (2R,3R,4S,5R,7R,8R,9R,10R)-2-amino-3,4,5,7,8,9,10-heptahydroxyundecanedial
• SMILES: N[C@@H](C=O)[C@@H](O)[C@@H](O)[C@H](O)C[C@@H](O)[C@@H](O)[C@@H](O)[C@@H](O)C=O
• InChI: InChI=1S/C11H21NO9/c12-4(2-13)8(18)9(19)5(15)1-6(16)10(20)11(21)7(17)3-14/h2-11,15-21H,1,12H2/t4-,5+,6+,7-,8+,9-,10+,11-/m0/s1
• InChIKey: WYCVCBXIFGHWMA-YLGJMLSFSA-N
• XLogP: -5.37
• TPSA: 201.77 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 10
• Rotatable Bonds: 10
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	311.29
LogP ≤ 5	-5.37
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5R,7R,8R,9R,10R)-2-amino-3,4,5,7,8,9,10-heptahydroxyundecanedial?

The IUPAC name of (2R,3R,4S,5R,7R,8R,9R,10R)-2-amino-3,4,5,7,8,9,10-heptahydroxyundecanedial (CID 21126222) is (2R,3R,4S,5R,7R,8R,9R,10R)-2-amino-3,4,5,7,8,9,10-heptahydroxyundecanedial.

What is the SMILES notation for (2R,3R,4S,5R,7R,8R,9R,10R)-2-amino-3,4,5,7,8,9,10-heptahydroxyundecanedial?

The canonical SMILES for (2R,3R,4S,5R,7R,8R,9R,10R)-2-amino-3,4,5,7,8,9,10-heptahydroxyundecanedial is N[C@@H](C=O)[C@@H](O)[C@@H](O)[C@H](O)C[C@@H](O)[C@@H](O)[C@@H](O)[C@@H](O)C=O.

What is the InChIKey of (2R,3R,4S,5R,7R,8R,9R,10R)-2-amino-3,4,5,7,8,9,10-heptahydroxyundecanedial?

The InChIKey is WYCVCBXIFGHWMA-YLGJMLSFSA-N. The full InChI is InChI=1S/C11H21NO9/c12-4(2-13)8(18)9(19)5(15)1-6(16)10(20)11(21)7(17)3-14/h2-11,15-21H,1,12H2/t4-,5+,6+,7-,8+,9-,10+,11-/m0/s1.

What are the key properties of (2R,3R,4S,5R,7R,8R,9R,10R)-2-amino-3,4,5,7,8,9,10-heptahydroxyundecanedial?

(2R,3R,4S,5R,7R,8R,9R,10R)-2-amino-3,4,5,7,8,9,10-heptahydroxyundecanedial has a molecular weight of 311.29 g/mol, XLogP of -5.37, 10 rotatable bonds, 8 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,3R,4S,5R,7R,8R,9R,10R)-2-amino-3,4,5,7,8,9,10-heptahydroxyundecanedial is sourced from PubChem (CID 21126222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).