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

C24H51N7O9 — CID 67891720

About (2S,3R,4S,5S,6R)-4-amino-2-[(1S,2S,4S,6R)-4-amino-3-[(2R,3R,6S)-3-amino-6-[(3-aminopropylamino)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,4S,6R)-4-amino-3-[(2R,3R,6S)-3-amino-6-[(3-aminopropylamino)methyl]oxan-2-yl]oxy-6-[(3-amino-2-hydroxypropyl)amino]-2-hydroxycyclohexyl]oxy-6-(hydroxymethyl)oxane-3,5-diol (PubChem CID 67891720) has the molecular formula C24H51N7O9 and a molecular weight of 581.71 g/mol. Its IUPAC name is (2S,3R,4S,5S,6R)-4-amino-2-[(1S,2S,4S,6R)-4-amino-3-[(2R,3R,6S)-3-amino-6-[(3-aminopropylamino)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,4S,6R)-4-amino-3-[(2R,3R,6S)-3-amino-6-[(3-aminopropylamino)methyl]oxan-2-yl]oxy-6-[(3-amino-2-hydroxypropyl)amino]-2-hydroxycyclohexyl]oxy-6-(hydroxymethyl)oxane-3,5-diol
• PubChem CID: 67891720
• Molecular Formula: C24H51N7O9
• Molecular Weight: 581.71 g/mol
• Exact Mass: 581.37
• IUPAC Name: (2S,3R,4S,5S,6R)-4-amino-2-[(1S,2S,4S,6R)-4-amino-3-[(2R,3R,6S)-3-amino-6-[(3-aminopropylamino)methyl]oxan-2-yl]oxy-6-[(3-amino-2-hydroxypropyl)amino]-2-hydroxycyclohexyl]oxy-6-(hydroxymethyl)oxane-3,5-diol
• SMILES: NCCCNC[C@@H]1CC[C@@H](N)[C@@H](OC2[C@@H](N)C[C@@H](NCC(O)CN)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](N)[C@H]3O)[C@H]2O)O1
• InChI: InChI=1S/C24H51N7O9/c25-4-1-5-30-9-12-2-3-13(27)23(37-12)39-21-14(28)6-15(31-8-11(33)7-26)22(20(21)36)40-24-19(35)17(29)18(34)16(10-32)38-24/h11-24,30-36H,1-10,25-29H2/t11?,12-,13+,14-,15+,16+,17-,18+,19+,20-,21?,22-,23+,24+/m0/s1
• InChIKey: CXMQMNQSUQMQCH-NEXZVYCASA-N
• XLogP: -6.34
• TPSA: 292.23 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	581.71
LogP ≤ 5	-6.34
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)-3-amino-6-[(3-aminopropylamino)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,4S,6R)-4-amino-3-[(2R,3R,6S)-3-amino-6-[(3-aminopropylamino)methyl]oxan-2-yl]oxy-6-[(3-amino-2-hydroxypropyl)amino]-2-hydroxycyclohexyl]oxy-6-(hydroxymethyl)oxane-3,5-diol (CID 67891720) is (2S,3R,4S,5S,6R)-4-amino-2-[(1S,2S,4S,6R)-4-amino-3-[(2R,3R,6S)-3-amino-6-[(3-aminopropylamino)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,4S,6R)-4-amino-3-[(2R,3R,6S)-3-amino-6-[(3-aminopropylamino)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,4S,6R)-4-amino-3-[(2R,3R,6S)-3-amino-6-[(3-aminopropylamino)methyl]oxan-2-yl]oxy-6-[(3-amino-2-hydroxypropyl)amino]-2-hydroxycyclohexyl]oxy-6-(hydroxymethyl)oxane-3,5-diol is NCCCNC[C@@H]1CC[C@@H](N)[C@@H](OC2[C@@H](N)C[C@@H](NCC(O)CN)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](N)[C@H]3O)[C@H]2O)O1.

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

The InChIKey is CXMQMNQSUQMQCH-NEXZVYCASA-N. The full InChI is InChI=1S/C24H51N7O9/c25-4-1-5-30-9-12-2-3-13(27)23(37-12)39-21-14(28)6-15(31-8-11(33)7-26)22(20(21)36)40-24-19(35)17(29)18(34)16(10-32)38-24/h11-24,30-36H,1-10,25-29H2/t11?,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,4S,6R)-4-amino-3-[(2R,3R,6S)-3-amino-6-[(3-aminopropylamino)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,4S,6R)-4-amino-3-[(2R,3R,6S)-3-amino-6-[(3-aminopropylamino)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 581.71 g/mol, XLogP of -6.34, 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)-3-amino-6-[(3-aminopropylamino)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 67891720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).