(2R,3S,4R,5R,6S)-5-amino-6-[(2R,3S,4R,5R)-5-amino-4-hydroxy-2-(hydroxymethyl)-6-pentoxyoxan-3-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol

C17H34N2O9 — CID 175295521

About (2R,3S,4R,5R,6S)-5-amino-6-[(2R,3S,4R,5R)-5-amino-4-hydroxy-2-(hydroxymethyl)-6-pentoxyoxan-3-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol

(2R,3S,4R,5R,6S)-5-amino-6-[(2R,3S,4R,5R)-5-amino-4-hydroxy-2-(hydroxymethyl)-6-pentoxyoxan-3-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol (PubChem CID 175295521) has the molecular formula C17H34N2O9 and a molecular weight of 410.46 g/mol. Its IUPAC name is (2R,3S,4R,5R,6S)-5-amino-6-[(2R,3S,4R,5R)-5-amino-4-hydroxy-2-(hydroxymethyl)-6-pentoxyoxan-3-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol.

Molecular Properties

• Compound Name: (2R,3S,4R,5R,6S)-5-amino-6-[(2R,3S,4R,5R)-5-amino-4-hydroxy-2-(hydroxymethyl)-6-pentoxyoxan-3-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol
• PubChem CID: 175295521
• Molecular Formula: C17H34N2O9
• Molecular Weight: 410.46 g/mol
• Exact Mass: 410.23
• IUPAC Name: (2R,3S,4R,5R,6S)-5-amino-6-[(2R,3S,4R,5R)-5-amino-4-hydroxy-2-(hydroxymethyl)-6-pentoxyoxan-3-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol
• SMILES: CCCCCOC1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2N)[C@H](O)[C@H]1N
• InChI: InChI=1S/C17H34N2O9/c1-2-3-4-5-25-16-11(19)14(24)15(9(7-21)27-16)28-17-10(18)13(23)12(22)8(6-20)26-17/h8-17,20-24H,2-7,18-19H2,1H3/t8-,9-,10-,11-,12-,13-,14-,15-,16?,17+/m1/s1
• InChIKey: WKXLMLPBWSTUPA-YRYTVUCJSA-N
• XLogP: -3.25
• TPSA: 190.11 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 11
• Rotatable Bonds: 9
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	410.46
LogP ≤ 5	-3.25
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R,5R,6S)-5-amino-6-[(2R,3S,4R,5R)-5-amino-4-hydroxy-2-(hydroxymethyl)-6-pentoxyoxan-3-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol?

The IUPAC name of (2R,3S,4R,5R,6S)-5-amino-6-[(2R,3S,4R,5R)-5-amino-4-hydroxy-2-(hydroxymethyl)-6-pentoxyoxan-3-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol (CID 175295521) is (2R,3S,4R,5R,6S)-5-amino-6-[(2R,3S,4R,5R)-5-amino-4-hydroxy-2-(hydroxymethyl)-6-pentoxyoxan-3-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol.

What is the SMILES notation for (2R,3S,4R,5R,6S)-5-amino-6-[(2R,3S,4R,5R)-5-amino-4-hydroxy-2-(hydroxymethyl)-6-pentoxyoxan-3-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol?

The canonical SMILES for (2R,3S,4R,5R,6S)-5-amino-6-[(2R,3S,4R,5R)-5-amino-4-hydroxy-2-(hydroxymethyl)-6-pentoxyoxan-3-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol is CCCCCOC1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2N)[C@H](O)[C@H]1N.

What is the InChIKey of (2R,3S,4R,5R,6S)-5-amino-6-[(2R,3S,4R,5R)-5-amino-4-hydroxy-2-(hydroxymethyl)-6-pentoxyoxan-3-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol?

The InChIKey is WKXLMLPBWSTUPA-YRYTVUCJSA-N. The full InChI is InChI=1S/C17H34N2O9/c1-2-3-4-5-25-16-11(19)14(24)15(9(7-21)27-16)28-17-10(18)13(23)12(22)8(6-20)26-17/h8-17,20-24H,2-7,18-19H2,1H3/t8-,9-,10-,11-,12-,13-,14-,15-,16?,17+/m1/s1.

What are the key properties of (2R,3S,4R,5R,6S)-5-amino-6-[(2R,3S,4R,5R)-5-amino-4-hydroxy-2-(hydroxymethyl)-6-pentoxyoxan-3-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol?

(2R,3S,4R,5R,6S)-5-amino-6-[(2R,3S,4R,5R)-5-amino-4-hydroxy-2-(hydroxymethyl)-6-pentoxyoxan-3-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol has a molecular weight of 410.46 g/mol, XLogP of -3.25, 9 rotatable bonds, 7 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,3S,4R,5R,6S)-5-amino-6-[(2R,3S,4R,5R)-5-amino-4-hydroxy-2-(hydroxymethyl)-6-pentoxyoxan-3-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol is sourced from PubChem (CID 175295521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).