(Z)-[3-(3-aminopropylamino)propyl-[3-[[(2R,4R,5R,6R)-6-[(2R,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-methyloxan-3-yl]oxy-4,5-dihydroxy-3-methoxyoxan-2-yl]methylamino]propyl]amino]-oxido-oxidoiminoazanium

C23H47N6O11- — CID 153278835

About (Z)-[3-(3-aminopropylamino)propyl-[3-[[(2R,4R,5R,6R)-6-[(2R,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-methyloxan-3-yl]oxy-4,5-dihydroxy-3-methoxyoxan-2-yl]methylamino]propyl]amino]-oxido-oxidoiminoazanium

(Z)-[3-(3-aminopropylamino)propyl-[3-[[(2R,4R,5R,6R)-6-[(2R,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-methyloxan-3-yl]oxy-4,5-dihydroxy-3-methoxyoxan-2-yl]methylamino]propyl]amino]-oxido-oxidoiminoazanium (PubChem CID 153278835) has the molecular formula C23H47N6O11- and a molecular weight of 583.66 g/mol. Its IUPAC name is (Z)-[3-(3-aminopropylamino)propyl-[3-[[(2R,4R,5R,6R)-6-[(2R,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-methyloxan-3-yl]oxy-4,5-dihydroxy-3-methoxyoxan-2-yl]methylamino]propyl]amino]-oxido-oxidoiminoazanium.

Molecular Properties

• Compound Name: (Z)-[3-(3-aminopropylamino)propyl-[3-[[(2R,4R,5R,6R)-6-[(2R,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-methyloxan-3-yl]oxy-4,5-dihydroxy-3-methoxyoxan-2-yl]methylamino]propyl]amino]-oxido-oxidoiminoazanium
• PubChem CID: 153278835
• Molecular Formula: C23H47N6O11-
• Molecular Weight: 583.66 g/mol
• Exact Mass: 583.33
• IUPAC Name: (Z)-[3-(3-aminopropylamino)propyl-[3-[[(2R,4R,5R,6R)-6-[(2R,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-methyloxan-3-yl]oxy-4,5-dihydroxy-3-methoxyoxan-2-yl]methylamino]propyl]amino]-oxido-oxidoiminoazanium
• SMILES: COC1[C@@H](CNCCCN(CCCNCCCN)/[N+]([O-])=N/[O-])O[C@H](OC2[C@@H](CO)O[C@H](C)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O
• InChI: InChI=1S/C23H48N6O11/c1-14-17(31)18(32)22(16(13-30)38-14)40-23-20(34)19(33)21(37-2)15(39-23)12-26-9-5-11-28(29(36)27-35)10-4-8-25-7-3-6-24/h14-23,25-26,30-35H,3-13,24H2,1-2H3/p-1/b29-27-/t14-,15-,16-,17+,18-,19-,20-,21?,22?,23-/m1/s1
• InChIKey: RALVZRGODKGNDH-RJEKLYKYSA-M
• XLogP: -3.68
• TPSA: 252.88 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 15
• Rotatable Bonds: 18
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	583.66
LogP ≤ 5	-3.68
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (Z)-[3-(3-aminopropylamino)propyl-[3-[[(2R,4R,5R,6R)-6-[(2R,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-methyloxan-3-yl]oxy-4,5-dihydroxy-3-methoxyoxan-2-yl]methylamino]propyl]amino]-oxido-oxidoiminoazanium?

The IUPAC name of (Z)-[3-(3-aminopropylamino)propyl-[3-[[(2R,4R,5R,6R)-6-[(2R,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-methyloxan-3-yl]oxy-4,5-dihydroxy-3-methoxyoxan-2-yl]methylamino]propyl]amino]-oxido-oxidoiminoazanium (CID 153278835) is (Z)-[3-(3-aminopropylamino)propyl-[3-[[(2R,4R,5R,6R)-6-[(2R,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-methyloxan-3-yl]oxy-4,5-dihydroxy-3-methoxyoxan-2-yl]methylamino]propyl]amino]-oxido-oxidoiminoazanium.

What is the SMILES notation for (Z)-[3-(3-aminopropylamino)propyl-[3-[[(2R,4R,5R,6R)-6-[(2R,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-methyloxan-3-yl]oxy-4,5-dihydroxy-3-methoxyoxan-2-yl]methylamino]propyl]amino]-oxido-oxidoiminoazanium?

The canonical SMILES for (Z)-[3-(3-aminopropylamino)propyl-[3-[[(2R,4R,5R,6R)-6-[(2R,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-methyloxan-3-yl]oxy-4,5-dihydroxy-3-methoxyoxan-2-yl]methylamino]propyl]amino]-oxido-oxidoiminoazanium is COC1[C@@H](CNCCCN(CCCNCCCN)/[N+]([O-])=N/[O-])O[C@H](OC2[C@@H](CO)O[C@H](C)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O.

What is the InChIKey of (Z)-[3-(3-aminopropylamino)propyl-[3-[[(2R,4R,5R,6R)-6-[(2R,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-methyloxan-3-yl]oxy-4,5-dihydroxy-3-methoxyoxan-2-yl]methylamino]propyl]amino]-oxido-oxidoiminoazanium?

The InChIKey is RALVZRGODKGNDH-RJEKLYKYSA-M. The full InChI is InChI=1S/C23H48N6O11/c1-14-17(31)18(32)22(16(13-30)38-14)40-23-20(34)19(33)21(37-2)15(39-23)12-26-9-5-11-28(29(36)27-35)10-4-8-25-7-3-6-24/h14-23,25-26,30-35H,3-13,24H2,1-2H3/p-1/b29-27-/t14-,15-,16-,17+,18-,19-,20-,21?,22?,23-/m1/s1.

What are the key properties of (Z)-[3-(3-aminopropylamino)propyl-[3-[[(2R,4R,5R,6R)-6-[(2R,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-methyloxan-3-yl]oxy-4,5-dihydroxy-3-methoxyoxan-2-yl]methylamino]propyl]amino]-oxido-oxidoiminoazanium?

(Z)-[3-(3-aminopropylamino)propyl-[3-[[(2R,4R,5R,6R)-6-[(2R,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-methyloxan-3-yl]oxy-4,5-dihydroxy-3-methoxyoxan-2-yl]methylamino]propyl]amino]-oxido-oxidoiminoazanium has a molecular weight of 583.66 g/mol, XLogP of -3.68, 18 rotatable bonds, 8 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for (Z)-[3-(3-aminopropylamino)propyl-[3-[[(2R,4R,5R,6R)-6-[(2R,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-methyloxan-3-yl]oxy-4,5-dihydroxy-3-methoxyoxan-2-yl]methylamino]propyl]amino]-oxido-oxidoiminoazanium is sourced from PubChem (CID 153278835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).