methyl 6-(aminomethoxy)-4-[5-[3,5-dihydroxy-6-methoxycarbonyl-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxyoxane-2-carboxylate

C27H45NO23 — CID 122579184

About methyl 6-(aminomethoxy)-4-[5-[3,5-dihydroxy-6-methoxycarbonyl-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxyoxane-2-carboxylate

methyl 6-(aminomethoxy)-4-[5-[3,5-dihydroxy-6-methoxycarbonyl-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxyoxane-2-carboxylate (PubChem CID 122579184) has the molecular formula C27H45NO23 and a molecular weight of 751.64 g/mol. Its IUPAC name is methyl 6-(aminomethoxy)-4-[5-[3,5-dihydroxy-6-methoxycarbonyl-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxyoxane-2-carboxylate.

Molecular Properties

• Compound Name: methyl 6-(aminomethoxy)-4-[5-[3,5-dihydroxy-6-methoxycarbonyl-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxyoxane-2-carboxylate
• PubChem CID: 122579184
• Molecular Formula: C27H45NO23
• Molecular Weight: 751.64 g/mol
• Exact Mass: 751.24
• IUPAC Name: methyl 6-(aminomethoxy)-4-[5-[3,5-dihydroxy-6-methoxycarbonyl-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxyoxane-2-carboxylate
• SMILES: COC(=O)C1OC(OC2C(CO)OC(OC3C(O)C(OCN)OC(C(=O)OC)C3O)C(O)C2O)C(O)C(OC2OC(CO)C(O)C(O)C2O)C1O
• InChI: InChI=1S/C27H45NO23/c1-42-22(40)20-13(36)18(15(38)24(50-20)44-5-28)48-26-12(35)10(33)17(7(4-30)46-26)47-27-16(39)19(14(37)21(51-27)23(41)43-2)49-25-11(34)9(32)8(31)6(3-29)45-25/h6-21,24-27,29-39H,3-5,28H2,1-2H3
• InChIKey: FQHPDJCFPXNUBB-UHFFFAOYSA-N
• XLogP: -9.45
• TPSA: 374.99 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 24
• Rotatable Bonds: 12
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	751.64
LogP ≤ 5	-9.45
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of methyl 6-(aminomethoxy)-4-[5-[3,5-dihydroxy-6-methoxycarbonyl-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxyoxane-2-carboxylate?

The IUPAC name of methyl 6-(aminomethoxy)-4-[5-[3,5-dihydroxy-6-methoxycarbonyl-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxyoxane-2-carboxylate (CID 122579184) is methyl 6-(aminomethoxy)-4-[5-[3,5-dihydroxy-6-methoxycarbonyl-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxyoxane-2-carboxylate.

What is the SMILES notation for methyl 6-(aminomethoxy)-4-[5-[3,5-dihydroxy-6-methoxycarbonyl-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxyoxane-2-carboxylate?

The canonical SMILES for methyl 6-(aminomethoxy)-4-[5-[3,5-dihydroxy-6-methoxycarbonyl-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxyoxane-2-carboxylate is COC(=O)C1OC(OC2C(CO)OC(OC3C(O)C(OCN)OC(C(=O)OC)C3O)C(O)C2O)C(O)C(OC2OC(CO)C(O)C(O)C2O)C1O.

What is the InChIKey of methyl 6-(aminomethoxy)-4-[5-[3,5-dihydroxy-6-methoxycarbonyl-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxyoxane-2-carboxylate?

The InChIKey is FQHPDJCFPXNUBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H45NO23/c1-42-22(40)20-13(36)18(15(38)24(50-20)44-5-28)48-26-12(35)10(33)17(7(4-30)46-26)47-27-16(39)19(14(37)21(51-27)23(41)43-2)49-25-11(34)9(32)8(31)6(3-29)45-25/h6-21,24-27,29-39H,3-5,28H2,1-2H3.

What are the key properties of methyl 6-(aminomethoxy)-4-[5-[3,5-dihydroxy-6-methoxycarbonyl-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxyoxane-2-carboxylate?

methyl 6-(aminomethoxy)-4-[5-[3,5-dihydroxy-6-methoxycarbonyl-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxyoxane-2-carboxylate has a molecular weight of 751.64 g/mol, XLogP of -9.45, 12 rotatable bonds, 12 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 6-(aminomethoxy)-4-[5-[3,5-dihydroxy-6-methoxycarbonyl-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxyoxane-2-carboxylate is sourced from PubChem (CID 122579184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).