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

C36H71N3O13 — CID 164897796

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

(2R,3S,4R,5R,6S)-5-amino-6-[(2R,4R,5R,6S)-5-amino-6-[(2R,4R,5R,6R)-5-amino-6-hydroxy-2-(hydroxymethyl)-4-octadecoxyoxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol (PubChem CID 164897796) has the molecular formula C36H71N3O13 and a molecular weight of 753.97 g/mol. Its IUPAC name is (2R,3S,4R,5R,6S)-5-amino-6-[(2R,4R,5R,6S)-5-amino-6-[(2R,4R,5R,6R)-5-amino-6-hydroxy-2-(hydroxymethyl)-4-octadecoxyoxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol.

Molecular Properties

• Compound Name: (2R,3S,4R,5R,6S)-5-amino-6-[(2R,4R,5R,6S)-5-amino-6-[(2R,4R,5R,6R)-5-amino-6-hydroxy-2-(hydroxymethyl)-4-octadecoxyoxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol
• PubChem CID: 164897796
• Molecular Formula: C36H71N3O13
• Molecular Weight: 753.97 g/mol
• Exact Mass: 753.50
• IUPAC Name: (2R,3S,4R,5R,6S)-5-amino-6-[(2R,4R,5R,6S)-5-amino-6-[(2R,4R,5R,6R)-5-amino-6-hydroxy-2-(hydroxymethyl)-4-octadecoxyoxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol
• SMILES: CCCCCCCCCCCCCCCCCCO[C@H]1C(O[C@@H]2O[C@H](CO)C(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3N)[C@H](O)[C@H]2N)[C@@H](CO)O[C@@H](O)[C@@H]1N
• InChI: InChI=1S/C36H71N3O13/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-47-33-27(39)34(46)48-24(21-42)32(33)52-36-26(38)30(45)31(23(20-41)50-36)51-35-25(37)29(44)28(43)22(19-40)49-35/h22-36,40-46H,2-21,37-39H2,1H3/t22-,23-,24-,25-,26-,27-,28-,29-,30-,31?,32?,33-,34-,35+,36+/m1/s1
• InChIKey: HOSYQNFTCAJPKZ-QTQSUXOESA-N
• XLogP: -0.39
• TPSA: 275.05 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 16
• Rotatable Bonds: 25
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	753.97
LogP ≤ 5	-0.39
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	16

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

The IUPAC name of (2R,3S,4R,5R,6S)-5-amino-6-[(2R,4R,5R,6S)-5-amino-6-[(2R,4R,5R,6R)-5-amino-6-hydroxy-2-(hydroxymethyl)-4-octadecoxyoxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol (CID 164897796) is (2R,3S,4R,5R,6S)-5-amino-6-[(2R,4R,5R,6S)-5-amino-6-[(2R,4R,5R,6R)-5-amino-6-hydroxy-2-(hydroxymethyl)-4-octadecoxyoxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol.

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

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

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

The InChIKey is HOSYQNFTCAJPKZ-QTQSUXOESA-N. The full InChI is InChI=1S/C36H71N3O13/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-47-33-27(39)34(46)48-24(21-42)32(33)52-36-26(38)30(45)31(23(20-41)50-36)51-35-25(37)29(44)28(43)22(19-40)49-35/h22-36,40-46H,2-21,37-39H2,1H3/t22-,23-,24-,25-,26-,27-,28-,29-,30-,31?,32?,33-,34-,35+,36+/m1/s1.

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

(2R,3S,4R,5R,6S)-5-amino-6-[(2R,4R,5R,6S)-5-amino-6-[(2R,4R,5R,6R)-5-amino-6-hydroxy-2-(hydroxymethyl)-4-octadecoxyoxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol has a molecular weight of 753.97 g/mol, XLogP of -0.39, 25 rotatable bonds, 10 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,3S,4R,5R,6S)-5-amino-6-[(2R,4R,5R,6S)-5-amino-6-[(2R,4R,5R,6R)-5-amino-6-hydroxy-2-(hydroxymethyl)-4-octadecoxyoxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol is sourced from PubChem (CID 164897796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).