5-amino-2-(aminomethyl)-6-[5-[3,5-diamino-2-[3-amino-6-(1-aminocyclopropyl)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)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-aminopropyl)oxan-2-yl]oxy-6-hydroxycyclohexyl]oxy-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxyoxane-3,4-diol

C74H146N18O33 — CID 167616473

About 5-amino-2-(aminomethyl)-6-[5-[3,5-diamino-2-[3-amino-6-(1-aminocyclopropyl)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)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-aminopropyl)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-aminocyclopropyl)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)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-aminopropyl)oxan-2-yl]oxy-6-hydroxycyclohexyl]oxy-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxyoxane-3,4-diol (PubChem CID 167616473) has the molecular formula C74H146N18O33 and a molecular weight of 1816.07 g/mol. Its IUPAC name is 5-amino-2-(aminomethyl)-6-[5-[3,5-diamino-2-[3-amino-6-(1-aminocyclopropyl)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)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-aminopropyl)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-aminocyclopropyl)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)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-aminopropyl)oxan-2-yl]oxy-6-hydroxycyclohexyl]oxy-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxyoxane-3,4-diol
• PubChem CID: 167616473
• Molecular Formula: C74H146N18O33
• Molecular Weight: 1816.07 g/mol
• Exact Mass: 1815.03
• IUPAC Name: 5-amino-2-(aminomethyl)-6-[5-[3,5-diamino-2-[3-amino-6-(1-aminocyclopropyl)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)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-aminopropyl)oxan-2-yl]oxy-6-hydroxycyclohexyl]oxy-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxyoxane-3,4-diol
• SMILES: CC(N)C1CCC(N)C(OC2C(N)CC(N)C(O)C2OC2OC(CO)C(OC3OC(CN)C(O)C(O)C3N)C2O)O1.CCC(N)C1CCC(N)C(OC2C(N)CC(N)C(O)C2OC2OC(CO)C(OC3OC(CN)C(O)C(O)C3N)C2O)O1.NCC1OC(OC2C(CO)OC(OC3C(O)C(N)CC(N)C3OC3OC(C4(N)CC4)CCC3N)C2O)C(N)C(O)C1O
• InChI: InChI=1S/C25H48N6O11.C25H50N6O11.C24H48N6O11/c26-6-11-16(34)17(35)14(30)23(37-11)41-20-12(7-32)38-24(18(20)36)42-21-15(33)9(28)5-10(29)19(21)40-22-8(27)1-2-13(39-22)25(31)3-4-25;1-2-8(27)12-4-3-9(28)23(37-12)40-20-11(30)5-10(29)16(33)22(20)42-25-19(36)21(14(7-32)39-25)41-24-15(31)18(35)17(34)13(6-26)38-24;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/h8-24,32-36H,1-7,26-31H2;8-25,32-36H,2-7,26-31H2,1H3;7-24,31-35H,2-6,25-30H2,1H3
• InChIKey: LUVZZRJWBLURPC-UHFFFAOYSA-N
• XLogP: -18.81
• TPSA: 937.95 Ų
• H-Bond Donors: 33
• H-Bond Acceptors: 51
• Rotatable Bonds: 28
• Heavy Atoms: 125
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1816.07
LogP ≤ 5	-18.81
H-Bond Donors ≤ 5	33
H-Bond Acceptors ≤ 10	51

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(aminomethyl)-6-[5-[3,5-diamino-2-[3-amino-6-(1-aminocyclopropyl)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)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-aminopropyl)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-aminocyclopropyl)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)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-aminopropyl)oxan-2-yl]oxy-6-hydroxycyclohexyl]oxy-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxyoxane-3,4-diol (CID 167616473) is 5-amino-2-(aminomethyl)-6-[5-[3,5-diamino-2-[3-amino-6-(1-aminocyclopropyl)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)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-aminopropyl)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-aminocyclopropyl)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)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-aminopropyl)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-aminocyclopropyl)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)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-aminopropyl)oxan-2-yl]oxy-6-hydroxycyclohexyl]oxy-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxyoxane-3,4-diol is CC(N)C1CCC(N)C(OC2C(N)CC(N)C(O)C2OC2OC(CO)C(OC3OC(CN)C(O)C(O)C3N)C2O)O1.CCC(N)C1CCC(N)C(OC2C(N)CC(N)C(O)C2OC2OC(CO)C(OC3OC(CN)C(O)C(O)C3N)C2O)O1.NCC1OC(OC2C(CO)OC(OC3C(O)C(N)CC(N)C3OC3OC(C4(N)CC4)CCC3N)C2O)C(N)C(O)C1O.

What is the InChIKey of 5-amino-2-(aminomethyl)-6-[5-[3,5-diamino-2-[3-amino-6-(1-aminocyclopropyl)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)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-aminopropyl)oxan-2-yl]oxy-6-hydroxycyclohexyl]oxy-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxyoxane-3,4-diol?

The InChIKey is LUVZZRJWBLURPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H48N6O11.C25H50N6O11.C24H48N6O11/c26-6-11-16(34)17(35)14(30)23(37-11)41-20-12(7-32)38-24(18(20)36)42-21-15(33)9(28)5-10(29)19(21)40-22-8(27)1-2-13(39-22)25(31)3-4-25;1-2-8(27)12-4-3-9(28)23(37-12)40-20-11(30)5-10(29)16(33)22(20)42-25-19(36)21(14(7-32)39-25)41-24-15(31)18(35)17(34)13(6-26)38-24;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/h8-24,32-36H,1-7,26-31H2;8-25,32-36H,2-7,26-31H2,1H3;7-24,31-35H,2-6,25-30H2,1H3.

What are the key properties of 5-amino-2-(aminomethyl)-6-[5-[3,5-diamino-2-[3-amino-6-(1-aminocyclopropyl)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)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-aminopropyl)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-aminocyclopropyl)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)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-aminopropyl)oxan-2-yl]oxy-6-hydroxycyclohexyl]oxy-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxyoxane-3,4-diol has a molecular weight of 1816.07 g/mol, XLogP of -18.81, 28 rotatable bonds, 33 hydrogen bond donors, and 51 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-aminocyclopropyl)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)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-aminopropyl)oxan-2-yl]oxy-6-hydroxycyclohexyl]oxy-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxyoxane-3,4-diol is sourced from PubChem (CID 167616473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).