(2S,3R,4S,5S,6R)-4-amino-2-[(1S,2S,3R,4S,6R)-4-amino-3-[(2R,3R,5S,6R)-3-amino-5-hydroxy-6-[(3-hydroxypropylamino)methyl]oxan-2-yl]oxy-6-[(3-amino-2-hydroxypropyl)amino]-2-hydroxycyclohexyl]oxy-6-(hydroxymethyl)oxane-3,5-diol

C24H50N6O11 — CID 67891859

About (2S,3R,4S,5S,6R)-4-amino-2-[(1S,2S,3R,4S,6R)-4-amino-3-[(2R,3R,5S,6R)-3-amino-5-hydroxy-6-[(3-hydroxypropylamino)methyl]oxan-2-yl]oxy-6-[(3-amino-2-hydroxypropyl)amino]-2-hydroxycyclohexyl]oxy-6-(hydroxymethyl)oxane-3,5-diol

(2S,3R,4S,5S,6R)-4-amino-2-[(1S,2S,3R,4S,6R)-4-amino-3-[(2R,3R,5S,6R)-3-amino-5-hydroxy-6-[(3-hydroxypropylamino)methyl]oxan-2-yl]oxy-6-[(3-amino-2-hydroxypropyl)amino]-2-hydroxycyclohexyl]oxy-6-(hydroxymethyl)oxane-3,5-diol (PubChem CID 67891859) has the molecular formula C24H50N6O11 and a molecular weight of 598.69 g/mol. Its IUPAC name is (2S,3R,4S,5S,6R)-4-amino-2-[(1S,2S,3R,4S,6R)-4-amino-3-[(2R,3R,5S,6R)-3-amino-5-hydroxy-6-[(3-hydroxypropylamino)methyl]oxan-2-yl]oxy-6-[(3-amino-2-hydroxypropyl)amino]-2-hydroxycyclohexyl]oxy-6-(hydroxymethyl)oxane-3,5-diol.

Molecular Properties

• Compound Name: (2S,3R,4S,5S,6R)-4-amino-2-[(1S,2S,3R,4S,6R)-4-amino-3-[(2R,3R,5S,6R)-3-amino-5-hydroxy-6-[(3-hydroxypropylamino)methyl]oxan-2-yl]oxy-6-[(3-amino-2-hydroxypropyl)amino]-2-hydroxycyclohexyl]oxy-6-(hydroxymethyl)oxane-3,5-diol
• PubChem CID: 67891859
• Molecular Formula: C24H50N6O11
• Molecular Weight: 598.69 g/mol
• Exact Mass: 598.35
• IUPAC Name: (2S,3R,4S,5S,6R)-4-amino-2-[(1S,2S,3R,4S,6R)-4-amino-3-[(2R,3R,5S,6R)-3-amino-5-hydroxy-6-[(3-hydroxypropylamino)methyl]oxan-2-yl]oxy-6-[(3-amino-2-hydroxypropyl)amino]-2-hydroxycyclohexyl]oxy-6-(hydroxymethyl)oxane-3,5-diol
• SMILES: NCC(O)CN[C@@H]1C[C@H](N)[C@@H](O[C@H]2O[C@H](CNCCCO)[C@@H](O)C[C@H]2N)[C@H](O)[C@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](N)[C@H]1O
• InChI: InChI=1S/C24H50N6O11/c25-6-10(33)7-30-13-4-11(26)21(40-23-12(27)5-14(34)15(38-23)8-29-2-1-3-31)20(37)22(13)41-24-19(36)17(28)18(35)16(9-32)39-24/h10-24,29-37H,1-9,25-28H2/t10?,11-,12+,13+,14-,15+,16+,17-,18+,19+,20-,21+,22-,23+,24+/m0/s1
• InChIKey: WMUASPKFRPAFJT-ANBBIIOVSA-N
• XLogP: -7.33
• TPSA: 306.67 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 17
• Rotatable Bonds: 14
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	598.69
LogP ≤ 5	-7.33
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4S,5S,6R)-4-amino-2-[(1S,2S,3R,4S,6R)-4-amino-3-[(2R,3R,5S,6R)-3-amino-5-hydroxy-6-[(3-hydroxypropylamino)methyl]oxan-2-yl]oxy-6-[(3-amino-2-hydroxypropyl)amino]-2-hydroxycyclohexyl]oxy-6-(hydroxymethyl)oxane-3,5-diol?

The IUPAC name of (2S,3R,4S,5S,6R)-4-amino-2-[(1S,2S,3R,4S,6R)-4-amino-3-[(2R,3R,5S,6R)-3-amino-5-hydroxy-6-[(3-hydroxypropylamino)methyl]oxan-2-yl]oxy-6-[(3-amino-2-hydroxypropyl)amino]-2-hydroxycyclohexyl]oxy-6-(hydroxymethyl)oxane-3,5-diol (CID 67891859) is (2S,3R,4S,5S,6R)-4-amino-2-[(1S,2S,3R,4S,6R)-4-amino-3-[(2R,3R,5S,6R)-3-amino-5-hydroxy-6-[(3-hydroxypropylamino)methyl]oxan-2-yl]oxy-6-[(3-amino-2-hydroxypropyl)amino]-2-hydroxycyclohexyl]oxy-6-(hydroxymethyl)oxane-3,5-diol.

What is the SMILES notation for (2S,3R,4S,5S,6R)-4-amino-2-[(1S,2S,3R,4S,6R)-4-amino-3-[(2R,3R,5S,6R)-3-amino-5-hydroxy-6-[(3-hydroxypropylamino)methyl]oxan-2-yl]oxy-6-[(3-amino-2-hydroxypropyl)amino]-2-hydroxycyclohexyl]oxy-6-(hydroxymethyl)oxane-3,5-diol?

The canonical SMILES for (2S,3R,4S,5S,6R)-4-amino-2-[(1S,2S,3R,4S,6R)-4-amino-3-[(2R,3R,5S,6R)-3-amino-5-hydroxy-6-[(3-hydroxypropylamino)methyl]oxan-2-yl]oxy-6-[(3-amino-2-hydroxypropyl)amino]-2-hydroxycyclohexyl]oxy-6-(hydroxymethyl)oxane-3,5-diol is NCC(O)CN[C@@H]1C[C@H](N)[C@@H](O[C@H]2O[C@H](CNCCCO)[C@@H](O)C[C@H]2N)[C@H](O)[C@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](N)[C@H]1O.

What is the InChIKey of (2S,3R,4S,5S,6R)-4-amino-2-[(1S,2S,3R,4S,6R)-4-amino-3-[(2R,3R,5S,6R)-3-amino-5-hydroxy-6-[(3-hydroxypropylamino)methyl]oxan-2-yl]oxy-6-[(3-amino-2-hydroxypropyl)amino]-2-hydroxycyclohexyl]oxy-6-(hydroxymethyl)oxane-3,5-diol?

The InChIKey is WMUASPKFRPAFJT-ANBBIIOVSA-N. The full InChI is InChI=1S/C24H50N6O11/c25-6-10(33)7-30-13-4-11(26)21(40-23-12(27)5-14(34)15(38-23)8-29-2-1-3-31)20(37)22(13)41-24-19(36)17(28)18(35)16(9-32)39-24/h10-24,29-37H,1-9,25-28H2/t10?,11-,12+,13+,14-,15+,16+,17-,18+,19+,20-,21+,22-,23+,24+/m0/s1.

What are the key properties of (2S,3R,4S,5S,6R)-4-amino-2-[(1S,2S,3R,4S,6R)-4-amino-3-[(2R,3R,5S,6R)-3-amino-5-hydroxy-6-[(3-hydroxypropylamino)methyl]oxan-2-yl]oxy-6-[(3-amino-2-hydroxypropyl)amino]-2-hydroxycyclohexyl]oxy-6-(hydroxymethyl)oxane-3,5-diol?

(2S,3R,4S,5S,6R)-4-amino-2-[(1S,2S,3R,4S,6R)-4-amino-3-[(2R,3R,5S,6R)-3-amino-5-hydroxy-6-[(3-hydroxypropylamino)methyl]oxan-2-yl]oxy-6-[(3-amino-2-hydroxypropyl)amino]-2-hydroxycyclohexyl]oxy-6-(hydroxymethyl)oxane-3,5-diol has a molecular weight of 598.69 g/mol, XLogP of -7.33, 14 rotatable bonds, 13 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for (2S,3R,4S,5S,6R)-4-amino-2-[(1S,2S,3R,4S,6R)-4-amino-3-[(2R,3R,5S,6R)-3-amino-5-hydroxy-6-[(3-hydroxypropylamino)methyl]oxan-2-yl]oxy-6-[(3-amino-2-hydroxypropyl)amino]-2-hydroxycyclohexyl]oxy-6-(hydroxymethyl)oxane-3,5-diol is sourced from PubChem (CID 67891859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).