(2R,3R,4R,6R)-5-[(2R,3R,4R,5S,6R)-6-[[2-(2-aminoethylamino)ethylamino]methyl]-3,4-dihydroxy-5-methoxyoxan-2-yl]oxy-6-(hydroxymethyl)-2-methyloxane-3,4-diol;(2R,3R,4R,6R)-5-[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-[[2-(2-hydroxyethylamino)ethylamino]methyl]-5-methoxyoxan-2-yl]oxy-6-(hydroxymethyl)-2-methyloxane-3,4-diol

C36H73N5O19 — CID 159974323

About (2R,3R,4R,6R)-5-[(2R,3R,4R,5S,6R)-6-[[2-(2-aminoethylamino)ethylamino]methyl]-3,4-dihydroxy-5-methoxyoxan-2-yl]oxy-6-(hydroxymethyl)-2-methyloxane-3,4-diol;(2R,3R,4R,6R)-5-[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-[[2-(2-hydroxyethylamino)ethylamino]methyl]-5-methoxyoxan-2-yl]oxy-6-(hydroxymethyl)-2-methyloxane-3,4-diol

(2R,3R,4R,6R)-5-[(2R,3R,4R,5S,6R)-6-[[2-(2-aminoethylamino)ethylamino]methyl]-3,4-dihydroxy-5-methoxyoxan-2-yl]oxy-6-(hydroxymethyl)-2-methyloxane-3,4-diol;(2R,3R,4R,6R)-5-[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-[[2-(2-hydroxyethylamino)ethylamino]methyl]-5-methoxyoxan-2-yl]oxy-6-(hydroxymethyl)-2-methyloxane-3,4-diol (PubChem CID 159974323) has the molecular formula C36H73N5O19 and a molecular weight of 880.00 g/mol. Its IUPAC name is (2R,3R,4R,6R)-5-[(2R,3R,4R,5S,6R)-6-[[2-(2-aminoethylamino)ethylamino]methyl]-3,4-dihydroxy-5-methoxyoxan-2-yl]oxy-6-(hydroxymethyl)-2-methyloxane-3,4-diol;(2R,3R,4R,6R)-5-[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-[[2-(2-hydroxyethylamino)ethylamino]methyl]-5-methoxyoxan-2-yl]oxy-6-(hydroxymethyl)-2-methyloxane-3,4-diol.

Molecular Properties

• Compound Name: (2R,3R,4R,6R)-5-[(2R,3R,4R,5S,6R)-6-[[2-(2-aminoethylamino)ethylamino]methyl]-3,4-dihydroxy-5-methoxyoxan-2-yl]oxy-6-(hydroxymethyl)-2-methyloxane-3,4-diol;(2R,3R,4R,6R)-5-[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-[[2-(2-hydroxyethylamino)ethylamino]methyl]-5-methoxyoxan-2-yl]oxy-6-(hydroxymethyl)-2-methyloxane-3,4-diol
• PubChem CID: 159974323
• Molecular Formula: C36H73N5O19
• Molecular Weight: 880.00 g/mol
• Exact Mass: 879.49
• IUPAC Name: (2R,3R,4R,6R)-5-[(2R,3R,4R,5S,6R)-6-[[2-(2-aminoethylamino)ethylamino]methyl]-3,4-dihydroxy-5-methoxyoxan-2-yl]oxy-6-(hydroxymethyl)-2-methyloxane-3,4-diol;(2R,3R,4R,6R)-5-[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-[[2-(2-hydroxyethylamino)ethylamino]methyl]-5-methoxyoxan-2-yl]oxy-6-(hydroxymethyl)-2-methyloxane-3,4-diol
• SMILES: CO[C@H]1[C@H](O)[C@@H](O)[C@@H](OC2[C@@H](CO)O[C@H](C)[C@H](O)[C@H]2O)O[C@@H]1CNCCNCCN.CO[C@H]1[C@H](O)[C@@H](O)[C@@H](OC2[C@@H](CO)O[C@H](C)[C@H](O)[C@H]2O)O[C@@H]1CNCCNCCO
• InChI: InChI=1S/C18H37N3O9.C18H36N2O10/c1-9-12(23)13(24)17(11(8-22)28-9)30-18-15(26)14(25)16(27-2)10(29-18)7-21-6-5-20-4-3-19;1-9-12(23)13(24)17(11(8-22)28-9)30-18-15(26)14(25)16(27-2)10(29-18)7-20-4-3-19-5-6-21/h9-18,20-26H,3-8,19H2,1-2H3;9-26H,3-8H2,1-2H3/t2*9-,10-,11-,12+,13-,14-,15-,16-,17?,18-/m11/s1
• InChIKey: OEYLQUZTBURPNB-SGBZUBQASA-N
• XLogP: -9.02
• TPSA: 370.51 Ų
• H-Bond Donors: 16
• H-Bond Acceptors: 24
• Rotatable Bonds: 22
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	880.00
LogP ≤ 5	-9.02
H-Bond Donors ≤ 5	16
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,6R)-5-[(2R,3R,4R,5S,6R)-6-[[2-(2-aminoethylamino)ethylamino]methyl]-3,4-dihydroxy-5-methoxyoxan-2-yl]oxy-6-(hydroxymethyl)-2-methyloxane-3,4-diol;(2R,3R,4R,6R)-5-[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-[[2-(2-hydroxyethylamino)ethylamino]methyl]-5-methoxyoxan-2-yl]oxy-6-(hydroxymethyl)-2-methyloxane-3,4-diol?

The IUPAC name of (2R,3R,4R,6R)-5-[(2R,3R,4R,5S,6R)-6-[[2-(2-aminoethylamino)ethylamino]methyl]-3,4-dihydroxy-5-methoxyoxan-2-yl]oxy-6-(hydroxymethyl)-2-methyloxane-3,4-diol;(2R,3R,4R,6R)-5-[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-[[2-(2-hydroxyethylamino)ethylamino]methyl]-5-methoxyoxan-2-yl]oxy-6-(hydroxymethyl)-2-methyloxane-3,4-diol (CID 159974323) is (2R,3R,4R,6R)-5-[(2R,3R,4R,5S,6R)-6-[[2-(2-aminoethylamino)ethylamino]methyl]-3,4-dihydroxy-5-methoxyoxan-2-yl]oxy-6-(hydroxymethyl)-2-methyloxane-3,4-diol;(2R,3R,4R,6R)-5-[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-[[2-(2-hydroxyethylamino)ethylamino]methyl]-5-methoxyoxan-2-yl]oxy-6-(hydroxymethyl)-2-methyloxane-3,4-diol.

What is the SMILES notation for (2R,3R,4R,6R)-5-[(2R,3R,4R,5S,6R)-6-[[2-(2-aminoethylamino)ethylamino]methyl]-3,4-dihydroxy-5-methoxyoxan-2-yl]oxy-6-(hydroxymethyl)-2-methyloxane-3,4-diol;(2R,3R,4R,6R)-5-[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-[[2-(2-hydroxyethylamino)ethylamino]methyl]-5-methoxyoxan-2-yl]oxy-6-(hydroxymethyl)-2-methyloxane-3,4-diol?

The canonical SMILES for (2R,3R,4R,6R)-5-[(2R,3R,4R,5S,6R)-6-[[2-(2-aminoethylamino)ethylamino]methyl]-3,4-dihydroxy-5-methoxyoxan-2-yl]oxy-6-(hydroxymethyl)-2-methyloxane-3,4-diol;(2R,3R,4R,6R)-5-[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-[[2-(2-hydroxyethylamino)ethylamino]methyl]-5-methoxyoxan-2-yl]oxy-6-(hydroxymethyl)-2-methyloxane-3,4-diol is CO[C@H]1[C@H](O)[C@@H](O)[C@@H](OC2[C@@H](CO)O[C@H](C)[C@H](O)[C@H]2O)O[C@@H]1CNCCNCCN.CO[C@H]1[C@H](O)[C@@H](O)[C@@H](OC2[C@@H](CO)O[C@H](C)[C@H](O)[C@H]2O)O[C@@H]1CNCCNCCO.

What is the InChIKey of (2R,3R,4R,6R)-5-[(2R,3R,4R,5S,6R)-6-[[2-(2-aminoethylamino)ethylamino]methyl]-3,4-dihydroxy-5-methoxyoxan-2-yl]oxy-6-(hydroxymethyl)-2-methyloxane-3,4-diol;(2R,3R,4R,6R)-5-[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-[[2-(2-hydroxyethylamino)ethylamino]methyl]-5-methoxyoxan-2-yl]oxy-6-(hydroxymethyl)-2-methyloxane-3,4-diol?

The InChIKey is OEYLQUZTBURPNB-SGBZUBQASA-N. The full InChI is InChI=1S/C18H37N3O9.C18H36N2O10/c1-9-12(23)13(24)17(11(8-22)28-9)30-18-15(26)14(25)16(27-2)10(29-18)7-21-6-5-20-4-3-19;1-9-12(23)13(24)17(11(8-22)28-9)30-18-15(26)14(25)16(27-2)10(29-18)7-20-4-3-19-5-6-21/h9-18,20-26H,3-8,19H2,1-2H3;9-26H,3-8H2,1-2H3/t2*9-,10-,11-,12+,13-,14-,15-,16-,17?,18-/m11/s1.

What are the key properties of (2R,3R,4R,6R)-5-[(2R,3R,4R,5S,6R)-6-[[2-(2-aminoethylamino)ethylamino]methyl]-3,4-dihydroxy-5-methoxyoxan-2-yl]oxy-6-(hydroxymethyl)-2-methyloxane-3,4-diol;(2R,3R,4R,6R)-5-[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-[[2-(2-hydroxyethylamino)ethylamino]methyl]-5-methoxyoxan-2-yl]oxy-6-(hydroxymethyl)-2-methyloxane-3,4-diol?

(2R,3R,4R,6R)-5-[(2R,3R,4R,5S,6R)-6-[[2-(2-aminoethylamino)ethylamino]methyl]-3,4-dihydroxy-5-methoxyoxan-2-yl]oxy-6-(hydroxymethyl)-2-methyloxane-3,4-diol;(2R,3R,4R,6R)-5-[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-[[2-(2-hydroxyethylamino)ethylamino]methyl]-5-methoxyoxan-2-yl]oxy-6-(hydroxymethyl)-2-methyloxane-3,4-diol has a molecular weight of 880.00 g/mol, XLogP of -9.02, 22 rotatable bonds, 16 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,3R,4R,6R)-5-[(2R,3R,4R,5S,6R)-6-[[2-(2-aminoethylamino)ethylamino]methyl]-3,4-dihydroxy-5-methoxyoxan-2-yl]oxy-6-(hydroxymethyl)-2-methyloxane-3,4-diol;(2R,3R,4R,6R)-5-[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-[[2-(2-hydroxyethylamino)ethylamino]methyl]-5-methoxyoxan-2-yl]oxy-6-(hydroxymethyl)-2-methyloxane-3,4-diol is sourced from PubChem (CID 159974323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).