[2-[5-acetamido-4-hydroxy-2-(hydroxymethyl)-6-methyloxan-3-yl]oxy-5-[5-[3-amino-4-hydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy-3-(diaminomethylideneamino)-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-3-yl]azanide;yttrium

C29H53N6O17Y- — CID 59022420

About [2-[5-acetamido-4-hydroxy-2-(hydroxymethyl)-6-methyloxan-3-yl]oxy-5-[5-[3-amino-4-hydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy-3-(diaminomethylideneamino)-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-3-yl]azanide;yttrium

[2-[5-acetamido-4-hydroxy-2-(hydroxymethyl)-6-methyloxan-3-yl]oxy-5-[5-[3-amino-4-hydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy-3-(diaminomethylideneamino)-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-3-yl]azanide;yttrium (PubChem CID 59022420) has the molecular formula C29H53N6O17Y- and a molecular weight of 846.67 g/mol. Its IUPAC name is [2-[5-acetamido-4-hydroxy-2-(hydroxymethyl)-6-methyloxan-3-yl]oxy-5-[5-[3-amino-4-hydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy-3-(diaminomethylideneamino)-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-3-yl]azanide;yttrium.

Molecular Properties

• Compound Name: [2-[5-acetamido-4-hydroxy-2-(hydroxymethyl)-6-methyloxan-3-yl]oxy-5-[5-[3-amino-4-hydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy-3-(diaminomethylideneamino)-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-3-yl]azanide;yttrium
• PubChem CID: 59022420
• Molecular Formula: C29H53N6O17Y-
• Molecular Weight: 846.67 g/mol
• Exact Mass: 846.25
• IUPAC Name: [2-[5-acetamido-4-hydroxy-2-(hydroxymethyl)-6-methyloxan-3-yl]oxy-5-[5-[3-amino-4-hydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy-3-(diaminomethylideneamino)-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-3-yl]azanide;yttrium
• SMILES: COC1C(CO)OC(OC2C(CO)OC(OC3C(CO)OC(OC4C(CO)OC(C)C(NC(C)=O)C4O)C([NH-])C3O)C(N=C(N)N)C2O)C(N)C1O.[Y]
• InChI: InChI=1S/C29H53N6O17.Y/c1-8-16(34-9(2)40)20(43)24(11(5-37)46-8)50-27-15(31)19(42)23(12(6-38)48-27)52-28-17(35-29(32)33)21(44)25(13(7-39)49-28)51-26-14(30)18(41)22(45-3)10(4-36)47-26;/h8,10-28,31,36-39,41-44H,4-7,30H2,1-3H3,(H,34,40)(H4,32,33,35);/q-1
• InChIKey: LLODLCASOLUHBX-UHFFFAOYSA-N
• XLogP: -7.58
• TPSA: 379.00 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 19
• Rotatable Bonds: 13
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	846.67
LogP ≤ 5	-7.58
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [2-[5-acetamido-4-hydroxy-2-(hydroxymethyl)-6-methyloxan-3-yl]oxy-5-[5-[3-amino-4-hydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy-3-(diaminomethylideneamino)-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-3-yl]azanide;yttrium?

The IUPAC name of [2-[5-acetamido-4-hydroxy-2-(hydroxymethyl)-6-methyloxan-3-yl]oxy-5-[5-[3-amino-4-hydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy-3-(diaminomethylideneamino)-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-3-yl]azanide;yttrium (CID 59022420) is [2-[5-acetamido-4-hydroxy-2-(hydroxymethyl)-6-methyloxan-3-yl]oxy-5-[5-[3-amino-4-hydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy-3-(diaminomethylideneamino)-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-3-yl]azanide;yttrium.

What is the SMILES notation for [2-[5-acetamido-4-hydroxy-2-(hydroxymethyl)-6-methyloxan-3-yl]oxy-5-[5-[3-amino-4-hydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy-3-(diaminomethylideneamino)-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-3-yl]azanide;yttrium?

The canonical SMILES for [2-[5-acetamido-4-hydroxy-2-(hydroxymethyl)-6-methyloxan-3-yl]oxy-5-[5-[3-amino-4-hydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy-3-(diaminomethylideneamino)-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-3-yl]azanide;yttrium is COC1C(CO)OC(OC2C(CO)OC(OC3C(CO)OC(OC4C(CO)OC(C)C(NC(C)=O)C4O)C([NH-])C3O)C(N=C(N)N)C2O)C(N)C1O.[Y].

What is the InChIKey of [2-[5-acetamido-4-hydroxy-2-(hydroxymethyl)-6-methyloxan-3-yl]oxy-5-[5-[3-amino-4-hydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy-3-(diaminomethylideneamino)-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-3-yl]azanide;yttrium?

The InChIKey is LLODLCASOLUHBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H53N6O17.Y/c1-8-16(34-9(2)40)20(43)24(11(5-37)46-8)50-27-15(31)19(42)23(12(6-38)48-27)52-28-17(35-29(32)33)21(44)25(13(7-39)49-28)51-26-14(30)18(41)22(45-3)10(4-36)47-26;/h8,10-28,31,36-39,41-44H,4-7,30H2,1-3H3,(H,34,40)(H4,32,33,35);/q-1;.

What are the key properties of [2-[5-acetamido-4-hydroxy-2-(hydroxymethyl)-6-methyloxan-3-yl]oxy-5-[5-[3-amino-4-hydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy-3-(diaminomethylideneamino)-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-3-yl]azanide;yttrium?

[2-[5-acetamido-4-hydroxy-2-(hydroxymethyl)-6-methyloxan-3-yl]oxy-5-[5-[3-amino-4-hydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy-3-(diaminomethylideneamino)-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-3-yl]azanide;yttrium has a molecular weight of 846.67 g/mol, XLogP of -7.58, 13 rotatable bonds, 12 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[5-acetamido-4-hydroxy-2-(hydroxymethyl)-6-methyloxan-3-yl]oxy-5-[5-[3-amino-4-hydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy-3-(diaminomethylideneamino)-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-3-yl]azanide;yttrium is sourced from PubChem (CID 59022420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).