5-amino-2-(aminomethyl)-6-[5-[3,5-diamino-2-[[3-amino-6-(1-aminoethyl)-3,6-dihydro-2H-pyran-2-yl]oxy]-6-hydroxycyclohexyl]oxy-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxyoxane-3,4-diol;5-amino-2-(aminomethyl)-6-[5-[3,5-diamino-2-[3-amino-6-(1-aminoethyl)-4-hydroxyoxan-2-yl]oxy-6-hydroxycyclohexyl]oxy-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxyoxane-3,4-diol;2-amino-5-(aminomethyl)-6-[5-[3,5-diamino-2-[3-amino-6-(aminomethyl)oxan-2-yl]oxy-6-hydroxycyclohexyl]oxy-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxyoxane-3,4-diol

C71H140N18O34 — CID 167577500

About 5-amino-2-(aminomethyl)-6-[5-[3,5-diamino-2-[[3-amino-6-(1-aminoethyl)-3,6-dihydro-2H-pyran-2-yl]oxy]-6-hydroxycyclohexyl]oxy-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxyoxane-3,4-diol;5-amino-2-(aminomethyl)-6-[5-[3,5-diamino-2-[3-amino-6-(1-aminoethyl)-4-hydroxyoxan-2-yl]oxy-6-hydroxycyclohexyl]oxy-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxyoxane-3,4-diol;2-amino-5-(aminomethyl)-6-[5-[3,5-diamino-2-[3-amino-6-(aminomethyl)oxan-2-yl]oxy-6-hydroxycyclohexyl]oxy-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxyoxane-3,4-diol

5-amino-2-(aminomethyl)-6-[5-[3,5-diamino-2-[[3-amino-6-(1-aminoethyl)-3,6-dihydro-2H-pyran-2-yl]oxy]-6-hydroxycyclohexyl]oxy-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxyoxane-3,4-diol;5-amino-2-(aminomethyl)-6-[5-[3,5-diamino-2-[3-amino-6-(1-aminoethyl)-4-hydroxyoxan-2-yl]oxy-6-hydroxycyclohexyl]oxy-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxyoxane-3,4-diol;2-amino-5-(aminomethyl)-6-[5-[3,5-diamino-2-[3-amino-6-(aminomethyl)oxan-2-yl]oxy-6-hydroxycyclohexyl]oxy-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxyoxane-3,4-diol (PubChem CID 167577500) has the molecular formula C71H140N18O34 and a molecular weight of 1789.99 g/mol. Its IUPAC name is 5-amino-2-(aminomethyl)-6-[5-[3,5-diamino-2-[[3-amino-6-(1-aminoethyl)-3,6-dihydro-2H-pyran-2-yl]oxy]-6-hydroxycyclohexyl]oxy-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxyoxane-3,4-diol;5-amino-2-(aminomethyl)-6-[5-[3,5-diamino-2-[3-amino-6-(1-aminoethyl)-4-hydroxyoxan-2-yl]oxy-6-hydroxycyclohexyl]oxy-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxyoxane-3,4-diol;2-amino-5-(aminomethyl)-6-[5-[3,5-diamino-2-[3-amino-6-(aminomethyl)oxan-2-yl]oxy-6-hydroxycyclohexyl]oxy-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxyoxane-3,4-diol.

Molecular Properties

• Compound Name: 5-amino-2-(aminomethyl)-6-[5-[3,5-diamino-2-[[3-amino-6-(1-aminoethyl)-3,6-dihydro-2H-pyran-2-yl]oxy]-6-hydroxycyclohexyl]oxy-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxyoxane-3,4-diol;5-amino-2-(aminomethyl)-6-[5-[3,5-diamino-2-[3-amino-6-(1-aminoethyl)-4-hydroxyoxan-2-yl]oxy-6-hydroxycyclohexyl]oxy-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxyoxane-3,4-diol;2-amino-5-(aminomethyl)-6-[5-[3,5-diamino-2-[3-amino-6-(aminomethyl)oxan-2-yl]oxy-6-hydroxycyclohexyl]oxy-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxyoxane-3,4-diol
• PubChem CID: 167577500
• Molecular Formula: C71H140N18O34
• Molecular Weight: 1789.99 g/mol
• Exact Mass: 1788.98
• IUPAC Name: 5-amino-2-(aminomethyl)-6-[5-[3,5-diamino-2-[[3-amino-6-(1-aminoethyl)-3,6-dihydro-2H-pyran-2-yl]oxy]-6-hydroxycyclohexyl]oxy-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxyoxane-3,4-diol;5-amino-2-(aminomethyl)-6-[5-[3,5-diamino-2-[3-amino-6-(1-aminoethyl)-4-hydroxyoxan-2-yl]oxy-6-hydroxycyclohexyl]oxy-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxyoxane-3,4-diol;2-amino-5-(aminomethyl)-6-[5-[3,5-diamino-2-[3-amino-6-(aminomethyl)oxan-2-yl]oxy-6-hydroxycyclohexyl]oxy-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxyoxane-3,4-diol
• SMILES: CC(N)C1C=CC(N)C(OC2C(N)CC(N)C(O)C2OC2OC(CO)C(OC3OC(CN)C(O)C(O)C3N)C2O)O1.CC(N)C1CC(O)C(N)C(OC2C(N)CC(N)C(O)C2OC2OC(CO)C(OC3OC(CN)C(O)C(O)C3N)C2O)O1.NCC1CCC(N)C(OC2C(N)CC(N)C(O)C2OC2OC(CO)C(OC3OC(N)C(O)C(O)C3CN)C2O)O1
• InChI: InChI=1S/C24H48N6O12.C24H46N6O11.C23H46N6O11/c1-6(26)10-3-9(32)13(29)22(37-10)40-19-8(28)2-7(27)15(33)21(19)42-24-18(36)20(12(5-31)39-24)41-23-14(30)17(35)16(34)11(4-25)38-23;1-7(26)11-3-2-8(27)22(36-11)39-19-10(29)4-9(28)15(32)21(19)41-24-18(35)20(13(6-31)38-24)40-23-14(30)17(34)16(33)12(5-25)37-23;24-4-7-1-2-9(26)22(35-7)37-17-11(28)3-10(27)14(32)19(17)39-23-16(34)18(12(6-30)36-23)38-21-8(5-25)13(31)15(33)20(29)40-21/h6-24,31-36H,2-5,25-30H2,1H3;2-3,7-24,31-35H,4-6,25-30H2,1H3;7-23,30-34H,1-6,24-29H2
• InChIKey: GSSMIGWCLUODNK-UHFFFAOYSA-N
• XLogP: -20.78
• TPSA: 958.18 Ų
• H-Bond Donors: 34
• H-Bond Acceptors: 52
• Rotatable Bonds: 27
• Heavy Atoms: 123
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1789.99
LogP ≤ 5	-20.78
H-Bond Donors ≤ 5	34
H-Bond Acceptors ≤ 10	52

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(aminomethyl)-6-[5-[3,5-diamino-2-[[3-amino-6-(1-aminoethyl)-3,6-dihydro-2H-pyran-2-yl]oxy]-6-hydroxycyclohexyl]oxy-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxyoxane-3,4-diol;5-amino-2-(aminomethyl)-6-[5-[3,5-diamino-2-[3-amino-6-(1-aminoethyl)-4-hydroxyoxan-2-yl]oxy-6-hydroxycyclohexyl]oxy-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxyoxane-3,4-diol;2-amino-5-(aminomethyl)-6-[5-[3,5-diamino-2-[3-amino-6-(aminomethyl)oxan-2-yl]oxy-6-hydroxycyclohexyl]oxy-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxyoxane-3,4-diol?

The IUPAC name of 5-amino-2-(aminomethyl)-6-[5-[3,5-diamino-2-[[3-amino-6-(1-aminoethyl)-3,6-dihydro-2H-pyran-2-yl]oxy]-6-hydroxycyclohexyl]oxy-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxyoxane-3,4-diol;5-amino-2-(aminomethyl)-6-[5-[3,5-diamino-2-[3-amino-6-(1-aminoethyl)-4-hydroxyoxan-2-yl]oxy-6-hydroxycyclohexyl]oxy-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxyoxane-3,4-diol;2-amino-5-(aminomethyl)-6-[5-[3,5-diamino-2-[3-amino-6-(aminomethyl)oxan-2-yl]oxy-6-hydroxycyclohexyl]oxy-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxyoxane-3,4-diol (CID 167577500) is 5-amino-2-(aminomethyl)-6-[5-[3,5-diamino-2-[[3-amino-6-(1-aminoethyl)-3,6-dihydro-2H-pyran-2-yl]oxy]-6-hydroxycyclohexyl]oxy-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxyoxane-3,4-diol;5-amino-2-(aminomethyl)-6-[5-[3,5-diamino-2-[3-amino-6-(1-aminoethyl)-4-hydroxyoxan-2-yl]oxy-6-hydroxycyclohexyl]oxy-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxyoxane-3,4-diol;2-amino-5-(aminomethyl)-6-[5-[3,5-diamino-2-[3-amino-6-(aminomethyl)oxan-2-yl]oxy-6-hydroxycyclohexyl]oxy-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxyoxane-3,4-diol.

What is the SMILES notation for 5-amino-2-(aminomethyl)-6-[5-[3,5-diamino-2-[[3-amino-6-(1-aminoethyl)-3,6-dihydro-2H-pyran-2-yl]oxy]-6-hydroxycyclohexyl]oxy-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxyoxane-3,4-diol;5-amino-2-(aminomethyl)-6-[5-[3,5-diamino-2-[3-amino-6-(1-aminoethyl)-4-hydroxyoxan-2-yl]oxy-6-hydroxycyclohexyl]oxy-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxyoxane-3,4-diol;2-amino-5-(aminomethyl)-6-[5-[3,5-diamino-2-[3-amino-6-(aminomethyl)oxan-2-yl]oxy-6-hydroxycyclohexyl]oxy-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxyoxane-3,4-diol?

The canonical SMILES for 5-amino-2-(aminomethyl)-6-[5-[3,5-diamino-2-[[3-amino-6-(1-aminoethyl)-3,6-dihydro-2H-pyran-2-yl]oxy]-6-hydroxycyclohexyl]oxy-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxyoxane-3,4-diol;5-amino-2-(aminomethyl)-6-[5-[3,5-diamino-2-[3-amino-6-(1-aminoethyl)-4-hydroxyoxan-2-yl]oxy-6-hydroxycyclohexyl]oxy-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxyoxane-3,4-diol;2-amino-5-(aminomethyl)-6-[5-[3,5-diamino-2-[3-amino-6-(aminomethyl)oxan-2-yl]oxy-6-hydroxycyclohexyl]oxy-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxyoxane-3,4-diol is CC(N)C1C=CC(N)C(OC2C(N)CC(N)C(O)C2OC2OC(CO)C(OC3OC(CN)C(O)C(O)C3N)C2O)O1.CC(N)C1CC(O)C(N)C(OC2C(N)CC(N)C(O)C2OC2OC(CO)C(OC3OC(CN)C(O)C(O)C3N)C2O)O1.NCC1CCC(N)C(OC2C(N)CC(N)C(O)C2OC2OC(CO)C(OC3OC(N)C(O)C(O)C3CN)C2O)O1.

What is the InChIKey of 5-amino-2-(aminomethyl)-6-[5-[3,5-diamino-2-[[3-amino-6-(1-aminoethyl)-3,6-dihydro-2H-pyran-2-yl]oxy]-6-hydroxycyclohexyl]oxy-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxyoxane-3,4-diol;5-amino-2-(aminomethyl)-6-[5-[3,5-diamino-2-[3-amino-6-(1-aminoethyl)-4-hydroxyoxan-2-yl]oxy-6-hydroxycyclohexyl]oxy-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxyoxane-3,4-diol;2-amino-5-(aminomethyl)-6-[5-[3,5-diamino-2-[3-amino-6-(aminomethyl)oxan-2-yl]oxy-6-hydroxycyclohexyl]oxy-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxyoxane-3,4-diol?

The InChIKey is GSSMIGWCLUODNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H48N6O12.C24H46N6O11.C23H46N6O11/c1-6(26)10-3-9(32)13(29)22(37-10)40-19-8(28)2-7(27)15(33)21(19)42-24-18(36)20(12(5-31)39-24)41-23-14(30)17(35)16(34)11(4-25)38-23;1-7(26)11-3-2-8(27)22(36-11)39-19-10(29)4-9(28)15(32)21(19)41-24-18(35)20(13(6-31)38-24)40-23-14(30)17(34)16(33)12(5-25)37-23;24-4-7-1-2-9(26)22(35-7)37-17-11(28)3-10(27)14(32)19(17)39-23-16(34)18(12(6-30)36-23)38-21-8(5-25)13(31)15(33)20(29)40-21/h6-24,31-36H,2-5,25-30H2,1H3;2-3,7-24,31-35H,4-6,25-30H2,1H3;7-23,30-34H,1-6,24-29H2.

What are the key properties of 5-amino-2-(aminomethyl)-6-[5-[3,5-diamino-2-[[3-amino-6-(1-aminoethyl)-3,6-dihydro-2H-pyran-2-yl]oxy]-6-hydroxycyclohexyl]oxy-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxyoxane-3,4-diol;5-amino-2-(aminomethyl)-6-[5-[3,5-diamino-2-[3-amino-6-(1-aminoethyl)-4-hydroxyoxan-2-yl]oxy-6-hydroxycyclohexyl]oxy-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxyoxane-3,4-diol;2-amino-5-(aminomethyl)-6-[5-[3,5-diamino-2-[3-amino-6-(aminomethyl)oxan-2-yl]oxy-6-hydroxycyclohexyl]oxy-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxyoxane-3,4-diol?

5-amino-2-(aminomethyl)-6-[5-[3,5-diamino-2-[[3-amino-6-(1-aminoethyl)-3,6-dihydro-2H-pyran-2-yl]oxy]-6-hydroxycyclohexyl]oxy-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxyoxane-3,4-diol;5-amino-2-(aminomethyl)-6-[5-[3,5-diamino-2-[3-amino-6-(1-aminoethyl)-4-hydroxyoxan-2-yl]oxy-6-hydroxycyclohexyl]oxy-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxyoxane-3,4-diol;2-amino-5-(aminomethyl)-6-[5-[3,5-diamino-2-[3-amino-6-(aminomethyl)oxan-2-yl]oxy-6-hydroxycyclohexyl]oxy-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxyoxane-3,4-diol has a molecular weight of 1789.99 g/mol, XLogP of -20.78, 27 rotatable bonds, 34 hydrogen bond donors, and 52 hydrogen bond acceptors.

Where does this data come from?

All data for 5-amino-2-(aminomethyl)-6-[5-[3,5-diamino-2-[[3-amino-6-(1-aminoethyl)-3,6-dihydro-2H-pyran-2-yl]oxy]-6-hydroxycyclohexyl]oxy-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxyoxane-3,4-diol;5-amino-2-(aminomethyl)-6-[5-[3,5-diamino-2-[3-amino-6-(1-aminoethyl)-4-hydroxyoxan-2-yl]oxy-6-hydroxycyclohexyl]oxy-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxyoxane-3,4-diol;2-amino-5-(aminomethyl)-6-[5-[3,5-diamino-2-[3-amino-6-(aminomethyl)oxan-2-yl]oxy-6-hydroxycyclohexyl]oxy-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxyoxane-3,4-diol is sourced from PubChem (CID 167577500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).