4-amino-N-[5-amino-2-[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[3-[(4-amino-2-hydroxybutyl)amino]-6-(aminomethyl)-5-hydroxyoxan-2-yl]-3-hydroxycyclohexyl]-2-hydroxybutanamide

C26H53N7O11 — CID 91384767

About 4-amino-N-[5-amino-2-[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[3-[(4-amino-2-hydroxybutyl)amino]-6-(aminomethyl)-5-hydroxyoxan-2-yl]-3-hydroxycyclohexyl]-2-hydroxybutanamide

4-amino-N-[5-amino-2-[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[3-[(4-amino-2-hydroxybutyl)amino]-6-(aminomethyl)-5-hydroxyoxan-2-yl]-3-hydroxycyclohexyl]-2-hydroxybutanamide (PubChem CID 91384767) has the molecular formula C26H53N7O11 and a molecular weight of 639.75 g/mol. Its IUPAC name is 4-amino-N-[5-amino-2-[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[3-[(4-amino-2-hydroxybutyl)amino]-6-(aminomethyl)-5-hydroxyoxan-2-yl]-3-hydroxycyclohexyl]-2-hydroxybutanamide.

Molecular Properties

• Compound Name: 4-amino-N-[5-amino-2-[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[3-[(4-amino-2-hydroxybutyl)amino]-6-(aminomethyl)-5-hydroxyoxan-2-yl]-3-hydroxycyclohexyl]-2-hydroxybutanamide
• PubChem CID: 91384767
• Molecular Formula: C26H53N7O11
• Molecular Weight: 639.75 g/mol
• Exact Mass: 639.38
• IUPAC Name: 4-amino-N-[5-amino-2-[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[3-[(4-amino-2-hydroxybutyl)amino]-6-(aminomethyl)-5-hydroxyoxan-2-yl]-3-hydroxycyclohexyl]-2-hydroxybutanamide
• SMILES: NCCC(O)CNC1CC(O)C(CN)OC1C1C(N)CC(NC(=O)C(O)CCN)C(OC2OC(CO)C(O)C(N)C2O)C1O
• InChI: InChI=1S/C26H53N7O11/c27-3-1-10(35)8-32-12-6-15(37)16(7-29)42-23(12)18-11(30)5-13(33-25(41)14(36)2-4-28)24(21(18)39)44-26-22(40)19(31)20(38)17(9-34)43-26/h10-24,26,32,34-40H,1-9,27-31H2,(H,33,41)
• InChIKey: MNWZQTWMGOBZOY-UHFFFAOYSA-N
• XLogP: -7.81
• TPSA: 340.53 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 17
• Rotatable Bonds: 14
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	639.75
LogP ≤ 5	-7.81
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[5-amino-2-[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[3-[(4-amino-2-hydroxybutyl)amino]-6-(aminomethyl)-5-hydroxyoxan-2-yl]-3-hydroxycyclohexyl]-2-hydroxybutanamide?

The IUPAC name of 4-amino-N-[5-amino-2-[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[3-[(4-amino-2-hydroxybutyl)amino]-6-(aminomethyl)-5-hydroxyoxan-2-yl]-3-hydroxycyclohexyl]-2-hydroxybutanamide (CID 91384767) is 4-amino-N-[5-amino-2-[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[3-[(4-amino-2-hydroxybutyl)amino]-6-(aminomethyl)-5-hydroxyoxan-2-yl]-3-hydroxycyclohexyl]-2-hydroxybutanamide.

What is the SMILES notation for 4-amino-N-[5-amino-2-[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[3-[(4-amino-2-hydroxybutyl)amino]-6-(aminomethyl)-5-hydroxyoxan-2-yl]-3-hydroxycyclohexyl]-2-hydroxybutanamide?

The canonical SMILES for 4-amino-N-[5-amino-2-[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[3-[(4-amino-2-hydroxybutyl)amino]-6-(aminomethyl)-5-hydroxyoxan-2-yl]-3-hydroxycyclohexyl]-2-hydroxybutanamide is NCCC(O)CNC1CC(O)C(CN)OC1C1C(N)CC(NC(=O)C(O)CCN)C(OC2OC(CO)C(O)C(N)C2O)C1O.

What is the InChIKey of 4-amino-N-[5-amino-2-[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[3-[(4-amino-2-hydroxybutyl)amino]-6-(aminomethyl)-5-hydroxyoxan-2-yl]-3-hydroxycyclohexyl]-2-hydroxybutanamide?

The InChIKey is MNWZQTWMGOBZOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H53N7O11/c27-3-1-10(35)8-32-12-6-15(37)16(7-29)42-23(12)18-11(30)5-13(33-25(41)14(36)2-4-28)24(21(18)39)44-26-22(40)19(31)20(38)17(9-34)43-26/h10-24,26,32,34-40H,1-9,27-31H2,(H,33,41).

What are the key properties of 4-amino-N-[5-amino-2-[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[3-[(4-amino-2-hydroxybutyl)amino]-6-(aminomethyl)-5-hydroxyoxan-2-yl]-3-hydroxycyclohexyl]-2-hydroxybutanamide?

4-amino-N-[5-amino-2-[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[3-[(4-amino-2-hydroxybutyl)amino]-6-(aminomethyl)-5-hydroxyoxan-2-yl]-3-hydroxycyclohexyl]-2-hydroxybutanamide has a molecular weight of 639.75 g/mol, XLogP of -7.81, 14 rotatable bonds, 14 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 4-amino-N-[5-amino-2-[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[3-[(4-amino-2-hydroxybutyl)amino]-6-(aminomethyl)-5-hydroxyoxan-2-yl]-3-hydroxycyclohexyl]-2-hydroxybutanamide is sourced from PubChem (CID 91384767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).