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

C25H51N7O11 — CID 75288159

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

4-amino-N-[5-amino-2-[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[6-(aminomethyl)-3-(3-aminopropylamino)oxan-2-yl]oxy-3-hydroxycyclohexyl]-2,3-dihydroxybutanamide (PubChem CID 75288159) has the molecular formula C25H51N7O11 and a molecular weight of 625.72 g/mol. Its IUPAC name is 4-amino-N-[5-amino-2-[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[6-(aminomethyl)-3-(3-aminopropylamino)oxan-2-yl]oxy-3-hydroxycyclohexyl]-2,3-dihydroxybutanamide.

Molecular Properties

• Compound Name: 4-amino-N-[5-amino-2-[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[6-(aminomethyl)-3-(3-aminopropylamino)oxan-2-yl]oxy-3-hydroxycyclohexyl]-2,3-dihydroxybutanamide
• PubChem CID: 75288159
• Molecular Formula: C25H51N7O11
• Molecular Weight: 625.72 g/mol
• Exact Mass: 625.36
• IUPAC Name: 4-amino-N-[5-amino-2-[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[6-(aminomethyl)-3-(3-aminopropylamino)oxan-2-yl]oxy-3-hydroxycyclohexyl]-2,3-dihydroxybutanamide
• SMILES: NCCCNC1CCC(CN)OC1OC1C(N)CC(NC(=O)C(O)C(O)CN)C(OC2OC(CO)C(O)C(N)C2O)C1O
• InChI: InChI=1S/C25H51N7O11/c26-4-1-5-31-12-3-2-10(7-27)40-24(12)42-21-11(29)6-13(32-23(39)17(35)14(34)8-28)22(20(21)38)43-25-19(37)16(30)18(36)15(9-33)41-25/h10-22,24-25,31,33-38H,1-9,26-30H2,(H,32,39)
• InChIKey: NFSZIYLYCFXTKC-UHFFFAOYSA-N
• XLogP: -7.45
• TPSA: 329.53 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 17
• Rotatable Bonds: 14
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	625.72
LogP ≤ 5	-7.45
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

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

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-[6-(aminomethyl)-3-(3-aminopropylamino)oxan-2-yl]oxy-3-hydroxycyclohexyl]-2,3-dihydroxybutanamide?

The IUPAC name of 4-amino-N-[5-amino-2-[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[6-(aminomethyl)-3-(3-aminopropylamino)oxan-2-yl]oxy-3-hydroxycyclohexyl]-2,3-dihydroxybutanamide (CID 75288159) is 4-amino-N-[5-amino-2-[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[6-(aminomethyl)-3-(3-aminopropylamino)oxan-2-yl]oxy-3-hydroxycyclohexyl]-2,3-dihydroxybutanamide.

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

The canonical SMILES for 4-amino-N-[5-amino-2-[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[6-(aminomethyl)-3-(3-aminopropylamino)oxan-2-yl]oxy-3-hydroxycyclohexyl]-2,3-dihydroxybutanamide is NCCCNC1CCC(CN)OC1OC1C(N)CC(NC(=O)C(O)C(O)CN)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-[6-(aminomethyl)-3-(3-aminopropylamino)oxan-2-yl]oxy-3-hydroxycyclohexyl]-2,3-dihydroxybutanamide?

The InChIKey is NFSZIYLYCFXTKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H51N7O11/c26-4-1-5-31-12-3-2-10(7-27)40-24(12)42-21-11(29)6-13(32-23(39)17(35)14(34)8-28)22(20(21)38)43-25-19(37)16(30)18(36)15(9-33)41-25/h10-22,24-25,31,33-38H,1-9,26-30H2,(H,32,39).

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

4-amino-N-[5-amino-2-[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[6-(aminomethyl)-3-(3-aminopropylamino)oxan-2-yl]oxy-3-hydroxycyclohexyl]-2,3-dihydroxybutanamide has a molecular weight of 625.72 g/mol, XLogP of -7.45, 14 rotatable bonds, 13 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-[6-(aminomethyl)-3-(3-aminopropylamino)oxan-2-yl]oxy-3-hydroxycyclohexyl]-2,3-dihydroxybutanamide is sourced from PubChem (CID 75288159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).