(2R,3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-[(1R,2R,3S,4R,6S)-4,6-diamino-2-[3-[2-[3-[(1S,2S,3R,5S,6R)-3,5-diamino-2-[(2R,3R,4R,5S,6R)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-6-hydroxycyclohexyl]oxypropoxy]ethoxy]propoxy]-3-hydroxycyclohexyl]oxyoxane-3,4-diol

C32H66N8O14 — CID 11422902

About (2R,3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-[(1R,2R,3S,4R,6S)-4,6-diamino-2-[3-[2-[3-[(1S,2S,3R,5S,6R)-3,5-diamino-2-[(2R,3R,4R,5S,6R)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-6-hydroxycyclohexyl]oxypropoxy]ethoxy]propoxy]-3-hydroxycyclohexyl]oxyoxane-3,4-diol

(2R,3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-[(1R,2R,3S,4R,6S)-4,6-diamino-2-[3-[2-[3-[(1S,2S,3R,5S,6R)-3,5-diamino-2-[(2R,3R,4R,5S,6R)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-6-hydroxycyclohexyl]oxypropoxy]ethoxy]propoxy]-3-hydroxycyclohexyl]oxyoxane-3,4-diol (PubChem CID 11422902) has the molecular formula C32H66N8O14 and a molecular weight of 786.92 g/mol. Its IUPAC name is (2R,3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-[(1R,2R,3S,4R,6S)-4,6-diamino-2-[3-[2-[3-[(1S,2S,3R,5S,6R)-3,5-diamino-2-[(2R,3R,4R,5S,6R)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-6-hydroxycyclohexyl]oxypropoxy]ethoxy]propoxy]-3-hydroxycyclohexyl]oxyoxane-3,4-diol.

Molecular Properties

• Compound Name: (2R,3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-[(1R,2R,3S,4R,6S)-4,6-diamino-2-[3-[2-[3-[(1S,2S,3R,5S,6R)-3,5-diamino-2-[(2R,3R,4R,5S,6R)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-6-hydroxycyclohexyl]oxypropoxy]ethoxy]propoxy]-3-hydroxycyclohexyl]oxyoxane-3,4-diol
• PubChem CID: 11422902
• Molecular Formula: C32H66N8O14
• Molecular Weight: 786.92 g/mol
• Exact Mass: 786.47
• IUPAC Name: (2R,3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-[(1R,2R,3S,4R,6S)-4,6-diamino-2-[3-[2-[3-[(1S,2S,3R,5S,6R)-3,5-diamino-2-[(2R,3R,4R,5S,6R)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-6-hydroxycyclohexyl]oxypropoxy]ethoxy]propoxy]-3-hydroxycyclohexyl]oxyoxane-3,4-diol
• SMILES: NC[C@H]1O[C@H](O[C@@H]2[C@@H](OCCCOCCOCCCO[C@@H]3C(O)[C@H](N)C[C@H](N)[C@H]3O[C@H]3O[C@H](CN)[C@@H](O)[C@H](O)[C@H]3N)[C@H](O)[C@@H](N)C[C@H]2N)[C@H](N)[C@@H](O)[C@@H]1O
• InChI: InChI=1S/C32H66N8O14/c33-11-17-23(43)25(45)19(39)31(51-17)53-27-15(37)9-13(35)21(41)29(27)49-5-1-3-47-7-8-48-4-2-6-50-30-22(42)14(36)10-16(38)28(30)54-32-20(40)26(46)24(44)18(12-34)52-32/h13-32,41-46H,1-12,33-40H2/t13-,14+,15+,16-,17-,18-,19-,20-,21?,22-,23-,24-,25-,26-,27-,28+,29-,30+,31-,32-/m1/s1
• InChIKey: RBZZGDGPQVQIHF-QAGVUKGQSA-N
• XLogP: -8.36
• TPSA: 403.38 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 22
• Rotatable Bonds: 19
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	786.92
LogP ≤ 5	-8.36
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	22

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,6R)-5-amino-2-(aminomethyl)-6-[(1R,2R,3S,4R,6S)-4,6-diamino-2-[3-[2-[3-[(1S,2S,3R,5S,6R)-3,5-diamino-2-[(2R,3R,4R,5S,6R)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-6-hydroxycyclohexyl]oxypropoxy]ethoxy]propoxy]-3-hydroxycyclohexyl]oxyoxane-3,4-diol?

The IUPAC name of (2R,3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-[(1R,2R,3S,4R,6S)-4,6-diamino-2-[3-[2-[3-[(1S,2S,3R,5S,6R)-3,5-diamino-2-[(2R,3R,4R,5S,6R)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-6-hydroxycyclohexyl]oxypropoxy]ethoxy]propoxy]-3-hydroxycyclohexyl]oxyoxane-3,4-diol (CID 11422902) is (2R,3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-[(1R,2R,3S,4R,6S)-4,6-diamino-2-[3-[2-[3-[(1S,2S,3R,5S,6R)-3,5-diamino-2-[(2R,3R,4R,5S,6R)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-6-hydroxycyclohexyl]oxypropoxy]ethoxy]propoxy]-3-hydroxycyclohexyl]oxyoxane-3,4-diol.

What is the SMILES notation for (2R,3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-[(1R,2R,3S,4R,6S)-4,6-diamino-2-[3-[2-[3-[(1S,2S,3R,5S,6R)-3,5-diamino-2-[(2R,3R,4R,5S,6R)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-6-hydroxycyclohexyl]oxypropoxy]ethoxy]propoxy]-3-hydroxycyclohexyl]oxyoxane-3,4-diol?

The canonical SMILES for (2R,3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-[(1R,2R,3S,4R,6S)-4,6-diamino-2-[3-[2-[3-[(1S,2S,3R,5S,6R)-3,5-diamino-2-[(2R,3R,4R,5S,6R)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-6-hydroxycyclohexyl]oxypropoxy]ethoxy]propoxy]-3-hydroxycyclohexyl]oxyoxane-3,4-diol is NC[C@H]1O[C@H](O[C@@H]2[C@@H](OCCCOCCOCCCO[C@@H]3C(O)[C@H](N)C[C@H](N)[C@H]3O[C@H]3O[C@H](CN)[C@@H](O)[C@H](O)[C@H]3N)[C@H](O)[C@@H](N)C[C@H]2N)[C@H](N)[C@@H](O)[C@@H]1O.

What is the InChIKey of (2R,3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-[(1R,2R,3S,4R,6S)-4,6-diamino-2-[3-[2-[3-[(1S,2S,3R,5S,6R)-3,5-diamino-2-[(2R,3R,4R,5S,6R)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-6-hydroxycyclohexyl]oxypropoxy]ethoxy]propoxy]-3-hydroxycyclohexyl]oxyoxane-3,4-diol?

The InChIKey is RBZZGDGPQVQIHF-QAGVUKGQSA-N. The full InChI is InChI=1S/C32H66N8O14/c33-11-17-23(43)25(45)19(39)31(51-17)53-27-15(37)9-13(35)21(41)29(27)49-5-1-3-47-7-8-48-4-2-6-50-30-22(42)14(36)10-16(38)28(30)54-32-20(40)26(46)24(44)18(12-34)52-32/h13-32,41-46H,1-12,33-40H2/t13-,14+,15+,16-,17-,18-,19-,20-,21?,22-,23-,24-,25-,26-,27-,28+,29-,30+,31-,32-/m1/s1.

What are the key properties of (2R,3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-[(1R,2R,3S,4R,6S)-4,6-diamino-2-[3-[2-[3-[(1S,2S,3R,5S,6R)-3,5-diamino-2-[(2R,3R,4R,5S,6R)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-6-hydroxycyclohexyl]oxypropoxy]ethoxy]propoxy]-3-hydroxycyclohexyl]oxyoxane-3,4-diol?

(2R,3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-[(1R,2R,3S,4R,6S)-4,6-diamino-2-[3-[2-[3-[(1S,2S,3R,5S,6R)-3,5-diamino-2-[(2R,3R,4R,5S,6R)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-6-hydroxycyclohexyl]oxypropoxy]ethoxy]propoxy]-3-hydroxycyclohexyl]oxyoxane-3,4-diol has a molecular weight of 786.92 g/mol, XLogP of -8.36, 19 rotatable bonds, 14 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-[(1R,2R,3S,4R,6S)-4,6-diamino-2-[3-[2-[3-[(1S,2S,3R,5S,6R)-3,5-diamino-2-[(2R,3R,4R,5S,6R)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-6-hydroxycyclohexyl]oxypropoxy]ethoxy]propoxy]-3-hydroxycyclohexyl]oxyoxane-3,4-diol is sourced from PubChem (CID 11422902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).