(Z)-[3-aminopropyl-[3-[3-[[(2R,3S,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]propylamino]propyl]amino]-oxido-oxidoiminoazanium;methane

C24H51N6O11- — CID 172989327

About (Z)-[3-aminopropyl-[3-[3-[[(2R,3S,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]propylamino]propyl]amino]-oxido-oxidoiminoazanium;methane

(Z)-[3-aminopropyl-[3-[3-[[(2R,3S,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]propylamino]propyl]amino]-oxido-oxidoiminoazanium;methane (PubChem CID 172989327) has the molecular formula C24H51N6O11- and a molecular weight of 599.70 g/mol. Its IUPAC name is (Z)-[3-aminopropyl-[3-[3-[[(2R,3S,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]propylamino]propyl]amino]-oxido-oxidoiminoazanium;methane.

Molecular Properties

• Compound Name: (Z)-[3-aminopropyl-[3-[3-[[(2R,3S,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]propylamino]propyl]amino]-oxido-oxidoiminoazanium;methane
• PubChem CID: 172989327
• Molecular Formula: C24H51N6O11-
• Molecular Weight: 599.70 g/mol
• Exact Mass: 599.36
• IUPAC Name: (Z)-[3-aminopropyl-[3-[3-[[(2R,3S,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]propylamino]propyl]amino]-oxido-oxidoiminoazanium;methane
• SMILES: C.CO[C@H]1[C@H](O)[C@@H](O)[C@@H](OC2[C@@H](CO)O[C@H](C)[C@H](O)[C@H]2O)O[C@@H]1CNCCCNCCCN(CCCN)/[N+]([O-])=N/[O-]
• InChI: InChI=1S/C23H48N6O11.CH4/c1-14-17(31)18(32)22(16(13-30)38-14)40-23-20(34)19(33)21(37-2)15(39-23)12-26-8-4-7-25-9-5-11-28(10-3-6-24)29(36)27-35;/h14-23,25-26,30-35H,3-13,24H2,1-2H3;1H4/p-1/b29-27-;/t14-,15-,16-,17+,18-,19-,20-,21-,22?,23-;/m1./s1
• InChIKey: DKJLSDHFIVIIDZ-JINCWBFWSA-M
• XLogP: -3.04
• TPSA: 252.88 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 15
• Rotatable Bonds: 18
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	599.70
LogP ≤ 5	-3.04
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-aminopropyl-[3-[3-[[(2R,3S,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]propylamino]propyl]amino]-oxido-oxidoiminoazanium;methane?

The IUPAC name of (Z)-[3-aminopropyl-[3-[3-[[(2R,3S,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]propylamino]propyl]amino]-oxido-oxidoiminoazanium;methane (CID 172989327) is (Z)-[3-aminopropyl-[3-[3-[[(2R,3S,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]propylamino]propyl]amino]-oxido-oxidoiminoazanium;methane.

What is the SMILES notation for (Z)-[3-aminopropyl-[3-[3-[[(2R,3S,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]propylamino]propyl]amino]-oxido-oxidoiminoazanium;methane?

The canonical SMILES for (Z)-[3-aminopropyl-[3-[3-[[(2R,3S,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]propylamino]propyl]amino]-oxido-oxidoiminoazanium;methane is C.CO[C@H]1[C@H](O)[C@@H](O)[C@@H](OC2[C@@H](CO)O[C@H](C)[C@H](O)[C@H]2O)O[C@@H]1CNCCCNCCCN(CCCN)/[N+]([O-])=N/[O-].

What is the InChIKey of (Z)-[3-aminopropyl-[3-[3-[[(2R,3S,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]propylamino]propyl]amino]-oxido-oxidoiminoazanium;methane?

The InChIKey is DKJLSDHFIVIIDZ-JINCWBFWSA-M. The full InChI is InChI=1S/C23H48N6O11.CH4/c1-14-17(31)18(32)22(16(13-30)38-14)40-23-20(34)19(33)21(37-2)15(39-23)12-26-8-4-7-25-9-5-11-28(10-3-6-24)29(36)27-35;/h14-23,25-26,30-35H,3-13,24H2,1-2H3;1H4/p-1/b29-27-;/t14-,15-,16-,17+,18-,19-,20-,21-,22?,23-;/m1./s1.

What are the key properties of (Z)-[3-aminopropyl-[3-[3-[[(2R,3S,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]propylamino]propyl]amino]-oxido-oxidoiminoazanium;methane?

(Z)-[3-aminopropyl-[3-[3-[[(2R,3S,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]propylamino]propyl]amino]-oxido-oxidoiminoazanium;methane has a molecular weight of 599.70 g/mol, XLogP of -3.04, 18 rotatable bonds, 8 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for (Z)-[3-aminopropyl-[3-[3-[[(2R,3S,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]propylamino]propyl]amino]-oxido-oxidoiminoazanium;methane is sourced from PubChem (CID 172989327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).