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

C25H49N7O11 — CID 67891837

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

2-amino-N-[(1R,2S,3S,4R,5S)-5-amino-2-[(2S,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2R,3R,5S,6R)-6-(aminomethyl)-3-(3-aminopropylamino)-5-hydroxyoxan-2-yl]oxy-3-hydroxycyclohexyl]-1-hydroxycyclopropane-1-carboxamide (PubChem CID 67891837) has the molecular formula C25H49N7O11 and a molecular weight of 623.71 g/mol. Its IUPAC name is 2-amino-N-[(1R,2S,3S,4R,5S)-5-amino-2-[(2S,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2R,3R,5S,6R)-6-(aminomethyl)-3-(3-aminopropylamino)-5-hydroxyoxan-2-yl]oxy-3-hydroxycyclohexyl]-1-hydroxycyclopropane-1-carboxamide.

Molecular Properties

• Compound Name: 2-amino-N-[(1R,2S,3S,4R,5S)-5-amino-2-[(2S,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2R,3R,5S,6R)-6-(aminomethyl)-3-(3-aminopropylamino)-5-hydroxyoxan-2-yl]oxy-3-hydroxycyclohexyl]-1-hydroxycyclopropane-1-carboxamide
• PubChem CID: 67891837
• Molecular Formula: C25H49N7O11
• Molecular Weight: 623.71 g/mol
• Exact Mass: 623.35
• IUPAC Name: 2-amino-N-[(1R,2S,3S,4R,5S)-5-amino-2-[(2S,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2R,3R,5S,6R)-6-(aminomethyl)-3-(3-aminopropylamino)-5-hydroxyoxan-2-yl]oxy-3-hydroxycyclohexyl]-1-hydroxycyclopropane-1-carboxamide
• SMILES: NCCCN[C@@H]1C[C@H](O)[C@@H](CN)O[C@@H]1O[C@H]1[C@H](O)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](N)[C@H]2O)[C@H](NC(=O)C2(O)CC2N)C[C@@H]1N
• InChI: InChI=1S/C25H49N7O11/c26-2-1-3-31-11-5-12(34)13(7-27)40-22(11)42-20-9(28)4-10(32-24(38)25(39)6-15(25)29)21(19(20)37)43-23-18(36)16(30)17(35)14(8-33)41-23/h9-23,31,33-37,39H,1-8,26-30H2,(H,32,38)/t9-,10+,11+,12-,13+,14+,15?,16-,17+,18+,19-,20+,21-,22+,23+,25?/m0/s1
• InChIKey: OJJVTDQEUNCBTI-NFRHUEFFSA-N
• XLogP: -7.70
• TPSA: 329.53 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 17
• Rotatable Bonds: 12
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	623.71
LogP ≤ 5	-7.70
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 2-amino-N-[(1R,2S,3S,4R,5S)-5-amino-2-[(2S,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2R,3R,5S,6R)-6-(aminomethyl)-3-(3-aminopropylamino)-5-hydroxyoxan-2-yl]oxy-3-hydroxycyclohexyl]-1-hydroxycyclopropane-1-carboxamide?

The IUPAC name of 2-amino-N-[(1R,2S,3S,4R,5S)-5-amino-2-[(2S,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2R,3R,5S,6R)-6-(aminomethyl)-3-(3-aminopropylamino)-5-hydroxyoxan-2-yl]oxy-3-hydroxycyclohexyl]-1-hydroxycyclopropane-1-carboxamide (CID 67891837) is 2-amino-N-[(1R,2S,3S,4R,5S)-5-amino-2-[(2S,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2R,3R,5S,6R)-6-(aminomethyl)-3-(3-aminopropylamino)-5-hydroxyoxan-2-yl]oxy-3-hydroxycyclohexyl]-1-hydroxycyclopropane-1-carboxamide.

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

The canonical SMILES for 2-amino-N-[(1R,2S,3S,4R,5S)-5-amino-2-[(2S,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2R,3R,5S,6R)-6-(aminomethyl)-3-(3-aminopropylamino)-5-hydroxyoxan-2-yl]oxy-3-hydroxycyclohexyl]-1-hydroxycyclopropane-1-carboxamide is NCCCN[C@@H]1C[C@H](O)[C@@H](CN)O[C@@H]1O[C@H]1[C@H](O)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](N)[C@H]2O)[C@H](NC(=O)C2(O)CC2N)C[C@@H]1N.

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

The InChIKey is OJJVTDQEUNCBTI-NFRHUEFFSA-N. The full InChI is InChI=1S/C25H49N7O11/c26-2-1-3-31-11-5-12(34)13(7-27)40-22(11)42-20-9(28)4-10(32-24(38)25(39)6-15(25)29)21(19(20)37)43-23-18(36)16(30)17(35)14(8-33)41-23/h9-23,31,33-37,39H,1-8,26-30H2,(H,32,38)/t9-,10+,11+,12-,13+,14+,15?,16-,17+,18+,19-,20+,21-,22+,23+,25?/m0/s1.

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

2-amino-N-[(1R,2S,3S,4R,5S)-5-amino-2-[(2S,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2R,3R,5S,6R)-6-(aminomethyl)-3-(3-aminopropylamino)-5-hydroxyoxan-2-yl]oxy-3-hydroxycyclohexyl]-1-hydroxycyclopropane-1-carboxamide has a molecular weight of 623.71 g/mol, XLogP of -7.70, 12 rotatable bonds, 13 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-N-[(1R,2S,3S,4R,5S)-5-amino-2-[(2S,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2R,3R,5S,6R)-6-(aminomethyl)-3-(3-aminopropylamino)-5-hydroxyoxan-2-yl]oxy-3-hydroxycyclohexyl]-1-hydroxycyclopropane-1-carboxamide is sourced from PubChem (CID 67891837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).