2-amino-N-[5-amino-4-[6-(aminomethyl)-3-(3-aminopropylamino)-4,5-dihydroxyoxan-2-yl]-2-[3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxycyclohexyl]-1-hydroxycyclopropane-1-carboxamide

C25H48N6O11 — CID 90915135

About 2-amino-N-[5-amino-4-[6-(aminomethyl)-3-(3-aminopropylamino)-4,5-dihydroxyoxan-2-yl]-2-[3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxycyclohexyl]-1-hydroxycyclopropane-1-carboxamide

2-amino-N-[5-amino-4-[6-(aminomethyl)-3-(3-aminopropylamino)-4,5-dihydroxyoxan-2-yl]-2-[3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxycyclohexyl]-1-hydroxycyclopropane-1-carboxamide (PubChem CID 90915135) has the molecular formula C25H48N6O11 and a molecular weight of 608.69 g/mol. Its IUPAC name is 2-amino-N-[5-amino-4-[6-(aminomethyl)-3-(3-aminopropylamino)-4,5-dihydroxyoxan-2-yl]-2-[3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxycyclohexyl]-1-hydroxycyclopropane-1-carboxamide.

Molecular Properties

• Compound Name: 2-amino-N-[5-amino-4-[6-(aminomethyl)-3-(3-aminopropylamino)-4,5-dihydroxyoxan-2-yl]-2-[3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxycyclohexyl]-1-hydroxycyclopropane-1-carboxamide
• PubChem CID: 90915135
• Molecular Formula: C25H48N6O11
• Molecular Weight: 608.69 g/mol
• Exact Mass: 608.34
• IUPAC Name: 2-amino-N-[5-amino-4-[6-(aminomethyl)-3-(3-aminopropylamino)-4,5-dihydroxyoxan-2-yl]-2-[3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxycyclohexyl]-1-hydroxycyclopropane-1-carboxamide
• SMILES: NCCCNC1C(O)C(O)C(CN)OC1C1C(N)CC(NC(=O)C2(O)CC2N)C(OC2OC(CO)C(O)CC2O)C1O
• InChI: InChI=1S/C25H48N6O11/c26-2-1-3-30-17-20(37)18(35)13(7-27)40-22(17)16-9(28)4-10(31-24(38)25(39)6-15(25)29)21(19(16)36)42-23-12(34)5-11(33)14(8-32)41-23/h9-23,30,32-37,39H,1-8,26-29H2,(H,31,38)
• InChIKey: URCBFFJGYDZDRH-UHFFFAOYSA-N
• XLogP: -7.39
• TPSA: 314.51 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 16
• Rotatable Bonds: 11
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	608.69
LogP ≤ 5	-7.39
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[5-amino-4-[6-(aminomethyl)-3-(3-aminopropylamino)-4,5-dihydroxyoxan-2-yl]-2-[3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxycyclohexyl]-1-hydroxycyclopropane-1-carboxamide?

The IUPAC name of 2-amino-N-[5-amino-4-[6-(aminomethyl)-3-(3-aminopropylamino)-4,5-dihydroxyoxan-2-yl]-2-[3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxycyclohexyl]-1-hydroxycyclopropane-1-carboxamide (CID 90915135) is 2-amino-N-[5-amino-4-[6-(aminomethyl)-3-(3-aminopropylamino)-4,5-dihydroxyoxan-2-yl]-2-[3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxycyclohexyl]-1-hydroxycyclopropane-1-carboxamide.

What is the SMILES notation for 2-amino-N-[5-amino-4-[6-(aminomethyl)-3-(3-aminopropylamino)-4,5-dihydroxyoxan-2-yl]-2-[3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxycyclohexyl]-1-hydroxycyclopropane-1-carboxamide?

The canonical SMILES for 2-amino-N-[5-amino-4-[6-(aminomethyl)-3-(3-aminopropylamino)-4,5-dihydroxyoxan-2-yl]-2-[3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxycyclohexyl]-1-hydroxycyclopropane-1-carboxamide is NCCCNC1C(O)C(O)C(CN)OC1C1C(N)CC(NC(=O)C2(O)CC2N)C(OC2OC(CO)C(O)CC2O)C1O.

What is the InChIKey of 2-amino-N-[5-amino-4-[6-(aminomethyl)-3-(3-aminopropylamino)-4,5-dihydroxyoxan-2-yl]-2-[3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxycyclohexyl]-1-hydroxycyclopropane-1-carboxamide?

The InChIKey is URCBFFJGYDZDRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H48N6O11/c26-2-1-3-30-17-20(37)18(35)13(7-27)40-22(17)16-9(28)4-10(31-24(38)25(39)6-15(25)29)21(19(16)36)42-23-12(34)5-11(33)14(8-32)41-23/h9-23,30,32-37,39H,1-8,26-29H2,(H,31,38).

What are the key properties of 2-amino-N-[5-amino-4-[6-(aminomethyl)-3-(3-aminopropylamino)-4,5-dihydroxyoxan-2-yl]-2-[3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxycyclohexyl]-1-hydroxycyclopropane-1-carboxamide?

2-amino-N-[5-amino-4-[6-(aminomethyl)-3-(3-aminopropylamino)-4,5-dihydroxyoxan-2-yl]-2-[3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxycyclohexyl]-1-hydroxycyclopropane-1-carboxamide has a molecular weight of 608.69 g/mol, XLogP of -7.39, 11 rotatable bonds, 13 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-N-[5-amino-4-[6-(aminomethyl)-3-(3-aminopropylamino)-4,5-dihydroxyoxan-2-yl]-2-[3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxycyclohexyl]-1-hydroxycyclopropane-1-carboxamide is sourced from PubChem (CID 90915135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).