[6-[5-acetamido-6-[5-acetamido-6-[5-acetamido-6-[5-acetamido-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-5-[acetyliodanuidyl(methyl)amino]-3,4-dihydroxyoxan-2-yl]methyl acetate

C43H71IN5O27- — CID 176844990

About [6-[5-acetamido-6-[5-acetamido-6-[5-acetamido-6-[5-acetamido-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-5-[acetyliodanuidyl(methyl)amino]-3,4-dihydroxyoxan-2-yl]methyl acetate

[6-[5-acetamido-6-[5-acetamido-6-[5-acetamido-6-[5-acetamido-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-5-[acetyliodanuidyl(methyl)amino]-3,4-dihydroxyoxan-2-yl]methyl acetate (PubChem CID 176844990) has the molecular formula C43H71IN5O27- and a molecular weight of 1216.95 g/mol. Its IUPAC name is [6-[5-acetamido-6-[5-acetamido-6-[5-acetamido-6-[5-acetamido-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-5-[acetyliodanuidyl(methyl)amino]-3,4-dihydroxyoxan-2-yl]methyl acetate.

Molecular Properties

• Compound Name: [6-[5-acetamido-6-[5-acetamido-6-[5-acetamido-6-[5-acetamido-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-5-[acetyliodanuidyl(methyl)amino]-3,4-dihydroxyoxan-2-yl]methyl acetate
• PubChem CID: 176844990
• Molecular Formula: C43H71IN5O27-
• Molecular Weight: 1216.95 g/mol
• Exact Mass: 1216.34
• IUPAC Name: [6-[5-acetamido-6-[5-acetamido-6-[5-acetamido-6-[5-acetamido-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-5-[acetyliodanuidyl(methyl)amino]-3,4-dihydroxyoxan-2-yl]methyl acetate
• SMILES: CC(=O)NC1C(O)OC(CO)C(OC2OC(CO)C(OC3OC(CO)C(OC4OC(CO)C(OC5OC(COC(C)=O)C(O)C(O)C5N(C)[I-]C(C)=O)C(O)C4NC(C)=O)C(O)C3NC(C)=O)C(O)C2NC(C)=O)C1O
• InChI: InChI=1S/C43H71IN5O27/c1-13(54)44-49(7)28-34(65)29(60)23(12-67-18(6)59)72-43(28)76-38-22(11-53)71-42(27(33(38)64)48-17(5)58)75-37-21(10-52)70-41(26(32(37)63)47-16(4)57)74-36-20(9-51)69-40(25(31(36)62)46-15(3)56)73-35-19(8-50)68-39(66)24(30(35)61)45-14(2)55/h19-43,50-53,60-66H,8-12H2,1-7H3,(H,45,55)(H,46,56)(H,47,57)(H,48,58)/q-1
• InChIKey: MACIHNCTTFPEIU-UHFFFAOYSA-N
• XLogP: -13.29
• TPSA: 468.61 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 28
• Rotatable Bonds: 21
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1216.95
LogP ≤ 5	-13.29
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [6-[5-acetamido-6-[5-acetamido-6-[5-acetamido-6-[5-acetamido-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-5-[acetyliodanuidyl(methyl)amino]-3,4-dihydroxyoxan-2-yl]methyl acetate?

The IUPAC name of [6-[5-acetamido-6-[5-acetamido-6-[5-acetamido-6-[5-acetamido-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-5-[acetyliodanuidyl(methyl)amino]-3,4-dihydroxyoxan-2-yl]methyl acetate (CID 176844990) is [6-[5-acetamido-6-[5-acetamido-6-[5-acetamido-6-[5-acetamido-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-5-[acetyliodanuidyl(methyl)amino]-3,4-dihydroxyoxan-2-yl]methyl acetate.

What is the SMILES notation for [6-[5-acetamido-6-[5-acetamido-6-[5-acetamido-6-[5-acetamido-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-5-[acetyliodanuidyl(methyl)amino]-3,4-dihydroxyoxan-2-yl]methyl acetate?

The canonical SMILES for [6-[5-acetamido-6-[5-acetamido-6-[5-acetamido-6-[5-acetamido-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-5-[acetyliodanuidyl(methyl)amino]-3,4-dihydroxyoxan-2-yl]methyl acetate is CC(=O)NC1C(O)OC(CO)C(OC2OC(CO)C(OC3OC(CO)C(OC4OC(CO)C(OC5OC(COC(C)=O)C(O)C(O)C5N(C)[I-]C(C)=O)C(O)C4NC(C)=O)C(O)C3NC(C)=O)C(O)C2NC(C)=O)C1O.

What is the InChIKey of [6-[5-acetamido-6-[5-acetamido-6-[5-acetamido-6-[5-acetamido-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-5-[acetyliodanuidyl(methyl)amino]-3,4-dihydroxyoxan-2-yl]methyl acetate?

The InChIKey is MACIHNCTTFPEIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H71IN5O27/c1-13(54)44-49(7)28-34(65)29(60)23(12-67-18(6)59)72-43(28)76-38-22(11-53)71-42(27(33(38)64)48-17(5)58)75-37-21(10-52)70-41(26(32(37)63)47-16(4)57)74-36-20(9-51)69-40(25(31(36)62)46-15(3)56)73-35-19(8-50)68-39(66)24(30(35)61)45-14(2)55/h19-43,50-53,60-66H,8-12H2,1-7H3,(H,45,55)(H,46,56)(H,47,57)(H,48,58)/q-1.

What are the key properties of [6-[5-acetamido-6-[5-acetamido-6-[5-acetamido-6-[5-acetamido-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-5-[acetyliodanuidyl(methyl)amino]-3,4-dihydroxyoxan-2-yl]methyl acetate?

[6-[5-acetamido-6-[5-acetamido-6-[5-acetamido-6-[5-acetamido-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-5-[acetyliodanuidyl(methyl)amino]-3,4-dihydroxyoxan-2-yl]methyl acetate has a molecular weight of 1216.95 g/mol, XLogP of -13.29, 21 rotatable bonds, 15 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for [6-[5-acetamido-6-[5-acetamido-6-[5-acetamido-6-[5-acetamido-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-5-[acetyliodanuidyl(methyl)amino]-3,4-dihydroxyoxan-2-yl]methyl acetate is sourced from PubChem (CID 176844990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).