(2S,3R,4S,5S,6R)-4-amino-2-[(1S,2S,4S,6R)-4-amino-3-[(2R,3R,6S)-6-(aminomethyl)-3-(3-aminopropylamino)oxan-2-yl]oxy-6-(1,3-dihydroxypropan-2-ylamino)-2-hydroxycyclohexyl]oxy-6-(hydroxymethyl)oxane-3,5-diol

C24H50N6O10 — CID 67890991

About (2S,3R,4S,5S,6R)-4-amino-2-[(1S,2S,4S,6R)-4-amino-3-[(2R,3R,6S)-6-(aminomethyl)-3-(3-aminopropylamino)oxan-2-yl]oxy-6-(1,3-dihydroxypropan-2-ylamino)-2-hydroxycyclohexyl]oxy-6-(hydroxymethyl)oxane-3,5-diol

(2S,3R,4S,5S,6R)-4-amino-2-[(1S,2S,4S,6R)-4-amino-3-[(2R,3R,6S)-6-(aminomethyl)-3-(3-aminopropylamino)oxan-2-yl]oxy-6-(1,3-dihydroxypropan-2-ylamino)-2-hydroxycyclohexyl]oxy-6-(hydroxymethyl)oxane-3,5-diol (PubChem CID 67890991) has the molecular formula C24H50N6O10 and a molecular weight of 582.70 g/mol. Its IUPAC name is (2S,3R,4S,5S,6R)-4-amino-2-[(1S,2S,4S,6R)-4-amino-3-[(2R,3R,6S)-6-(aminomethyl)-3-(3-aminopropylamino)oxan-2-yl]oxy-6-(1,3-dihydroxypropan-2-ylamino)-2-hydroxycyclohexyl]oxy-6-(hydroxymethyl)oxane-3,5-diol.

Molecular Properties

• Compound Name: (2S,3R,4S,5S,6R)-4-amino-2-[(1S,2S,4S,6R)-4-amino-3-[(2R,3R,6S)-6-(aminomethyl)-3-(3-aminopropylamino)oxan-2-yl]oxy-6-(1,3-dihydroxypropan-2-ylamino)-2-hydroxycyclohexyl]oxy-6-(hydroxymethyl)oxane-3,5-diol
• PubChem CID: 67890991
• Molecular Formula: C24H50N6O10
• Molecular Weight: 582.70 g/mol
• Exact Mass: 582.36
• IUPAC Name: (2S,3R,4S,5S,6R)-4-amino-2-[(1S,2S,4S,6R)-4-amino-3-[(2R,3R,6S)-6-(aminomethyl)-3-(3-aminopropylamino)oxan-2-yl]oxy-6-(1,3-dihydroxypropan-2-ylamino)-2-hydroxycyclohexyl]oxy-6-(hydroxymethyl)oxane-3,5-diol
• SMILES: NCCCN[C@@H]1CC[C@@H](CN)O[C@@H]1OC1[C@@H](N)C[C@@H](NC(CO)CO)[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](N)[C@H]2O)[C@H]1O
• InChI: InChI=1S/C24H50N6O10/c25-4-1-5-29-14-3-2-12(7-26)37-23(14)39-21-13(27)6-15(30-11(8-31)9-32)22(20(21)36)40-24-19(35)17(28)18(34)16(10-33)38-24/h11-24,29-36H,1-10,25-28H2/t12-,13-,14+,15+,16+,17-,18+,19+,20-,21?,22-,23+,24+/m0/s1
• InChIKey: ZTCNDOUMPORRMN-ROEUYVAFSA-N
• XLogP: -6.30
• TPSA: 286.44 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 16
• Rotatable Bonds: 14
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	582.70
LogP ≤ 5	-6.30
H-Bond Donors ≤ 5	12
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 (2S,3R,4S,5S,6R)-4-amino-2-[(1S,2S,4S,6R)-4-amino-3-[(2R,3R,6S)-6-(aminomethyl)-3-(3-aminopropylamino)oxan-2-yl]oxy-6-(1,3-dihydroxypropan-2-ylamino)-2-hydroxycyclohexyl]oxy-6-(hydroxymethyl)oxane-3,5-diol?

The IUPAC name of (2S,3R,4S,5S,6R)-4-amino-2-[(1S,2S,4S,6R)-4-amino-3-[(2R,3R,6S)-6-(aminomethyl)-3-(3-aminopropylamino)oxan-2-yl]oxy-6-(1,3-dihydroxypropan-2-ylamino)-2-hydroxycyclohexyl]oxy-6-(hydroxymethyl)oxane-3,5-diol (CID 67890991) is (2S,3R,4S,5S,6R)-4-amino-2-[(1S,2S,4S,6R)-4-amino-3-[(2R,3R,6S)-6-(aminomethyl)-3-(3-aminopropylamino)oxan-2-yl]oxy-6-(1,3-dihydroxypropan-2-ylamino)-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,4S,6R)-4-amino-3-[(2R,3R,6S)-6-(aminomethyl)-3-(3-aminopropylamino)oxan-2-yl]oxy-6-(1,3-dihydroxypropan-2-ylamino)-2-hydroxycyclohexyl]oxy-6-(hydroxymethyl)oxane-3,5-diol?

The canonical SMILES for (2S,3R,4S,5S,6R)-4-amino-2-[(1S,2S,4S,6R)-4-amino-3-[(2R,3R,6S)-6-(aminomethyl)-3-(3-aminopropylamino)oxan-2-yl]oxy-6-(1,3-dihydroxypropan-2-ylamino)-2-hydroxycyclohexyl]oxy-6-(hydroxymethyl)oxane-3,5-diol is NCCCN[C@@H]1CC[C@@H](CN)O[C@@H]1OC1[C@@H](N)C[C@@H](NC(CO)CO)[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](N)[C@H]2O)[C@H]1O.

What is the InChIKey of (2S,3R,4S,5S,6R)-4-amino-2-[(1S,2S,4S,6R)-4-amino-3-[(2R,3R,6S)-6-(aminomethyl)-3-(3-aminopropylamino)oxan-2-yl]oxy-6-(1,3-dihydroxypropan-2-ylamino)-2-hydroxycyclohexyl]oxy-6-(hydroxymethyl)oxane-3,5-diol?

The InChIKey is ZTCNDOUMPORRMN-ROEUYVAFSA-N. The full InChI is InChI=1S/C24H50N6O10/c25-4-1-5-29-14-3-2-12(7-26)37-23(14)39-21-13(27)6-15(30-11(8-31)9-32)22(20(21)36)40-24-19(35)17(28)18(34)16(10-33)38-24/h11-24,29-36H,1-10,25-28H2/t12-,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,4S,6R)-4-amino-3-[(2R,3R,6S)-6-(aminomethyl)-3-(3-aminopropylamino)oxan-2-yl]oxy-6-(1,3-dihydroxypropan-2-ylamino)-2-hydroxycyclohexyl]oxy-6-(hydroxymethyl)oxane-3,5-diol?

(2S,3R,4S,5S,6R)-4-amino-2-[(1S,2S,4S,6R)-4-amino-3-[(2R,3R,6S)-6-(aminomethyl)-3-(3-aminopropylamino)oxan-2-yl]oxy-6-(1,3-dihydroxypropan-2-ylamino)-2-hydroxycyclohexyl]oxy-6-(hydroxymethyl)oxane-3,5-diol has a molecular weight of 582.70 g/mol, XLogP of -6.30, 14 rotatable bonds, 12 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for (2S,3R,4S,5S,6R)-4-amino-2-[(1S,2S,4S,6R)-4-amino-3-[(2R,3R,6S)-6-(aminomethyl)-3-(3-aminopropylamino)oxan-2-yl]oxy-6-(1,3-dihydroxypropan-2-ylamino)-2-hydroxycyclohexyl]oxy-6-(hydroxymethyl)oxane-3,5-diol is sourced from PubChem (CID 67890991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).