N-[(2S,3R,4R,5R,6R)-6-(aminomethyl)-4,5-dihydroxy-2-methoxyoxan-3-yl]acetamide;N-[(2S,3R,4R,5R)-4,5-dihydroxy-6,6-bis(hydroxymethyl)-2-methoxyoxan-3-yl]acetamide;N-[(1S,2R,3R,4R,5S)-2,3-dihydroxy-1-(hydroxymethyl)-6,8-dioxabicyclo[3.2.1]octan-4-yl]acetamide

C28H52N4O18 — CID 158394005

About N-[(2S,3R,4R,5R,6R)-6-(aminomethyl)-4,5-dihydroxy-2-methoxyoxan-3-yl]acetamide;N-[(2S,3R,4R,5R)-4,5-dihydroxy-6,6-bis(hydroxymethyl)-2-methoxyoxan-3-yl]acetamide;N-[(1S,2R,3R,4R,5S)-2,3-dihydroxy-1-(hydroxymethyl)-6,8-dioxabicyclo[3.2.1]octan-4-yl]acetamide

N-[(2S,3R,4R,5R,6R)-6-(aminomethyl)-4,5-dihydroxy-2-methoxyoxan-3-yl]acetamide;N-[(2S,3R,4R,5R)-4,5-dihydroxy-6,6-bis(hydroxymethyl)-2-methoxyoxan-3-yl]acetamide;N-[(1S,2R,3R,4R,5S)-2,3-dihydroxy-1-(hydroxymethyl)-6,8-dioxabicyclo[3.2.1]octan-4-yl]acetamide (PubChem CID 158394005) has the molecular formula C28H52N4O18 and a molecular weight of 732.73 g/mol. Its IUPAC name is N-[(2S,3R,4R,5R,6R)-6-(aminomethyl)-4,5-dihydroxy-2-methoxyoxan-3-yl]acetamide;N-[(2S,3R,4R,5R)-4,5-dihydroxy-6,6-bis(hydroxymethyl)-2-methoxyoxan-3-yl]acetamide;N-[(1S,2R,3R,4R,5S)-2,3-dihydroxy-1-(hydroxymethyl)-6,8-dioxabicyclo[3.2.1]octan-4-yl]acetamide.

Molecular Properties

• Compound Name: N-[(2S,3R,4R,5R,6R)-6-(aminomethyl)-4,5-dihydroxy-2-methoxyoxan-3-yl]acetamide;N-[(2S,3R,4R,5R)-4,5-dihydroxy-6,6-bis(hydroxymethyl)-2-methoxyoxan-3-yl]acetamide;N-[(1S,2R,3R,4R,5S)-2,3-dihydroxy-1-(hydroxymethyl)-6,8-dioxabicyclo[3.2.1]octan-4-yl]acetamide
• PubChem CID: 158394005
• Molecular Formula: C28H52N4O18
• Molecular Weight: 732.73 g/mol
• Exact Mass: 732.33
• IUPAC Name: N-[(2S,3R,4R,5R,6R)-6-(aminomethyl)-4,5-dihydroxy-2-methoxyoxan-3-yl]acetamide;N-[(2S,3R,4R,5R)-4,5-dihydroxy-6,6-bis(hydroxymethyl)-2-methoxyoxan-3-yl]acetamide;N-[(1S,2R,3R,4R,5S)-2,3-dihydroxy-1-(hydroxymethyl)-6,8-dioxabicyclo[3.2.1]octan-4-yl]acetamide
• SMILES: CC(=O)N[C@H]1[C@H]2OC[C@](CO)(O2)[C@H](O)[C@@H]1O.CO[C@H]1OC(CO)(CO)[C@H](O)[C@H](O)[C@H]1NC(C)=O.CO[C@H]1O[C@H](CN)[C@H](O)[C@H](O)[C@H]1NC(C)=O
• InChI: InChI=1S/C10H19NO7.C9H18N2O5.C9H15NO6/c1-5(14)11-6-7(15)8(16)10(3-12,4-13)18-9(6)17-2;1-4(12)11-6-8(14)7(13)5(3-10)16-9(6)15-2;1-4(12)10-5-6(13)7(14)9(2-11)3-15-8(5)16-9/h6-9,12-13,15-16H,3-4H2,1-2H3,(H,11,14);5-9,13-14H,3,10H2,1-2H3,(H,11,12);5-8,11,13-14H,2-3H2,1H3,(H,10,12)/t6-,7-,8-,9+;5-,6-,7+,8-,9+;5-,6-,7-,8+,9+/m111/s1
• InChIKey: GXHYQNQLBYPYLX-FORLUYEZSA-N
• XLogP: -8.19
• TPSA: 350.77 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 19
• Rotatable Bonds: 9
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	732.73
LogP ≤ 5	-8.19
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

What is the IUPAC name of N-[(2S,3R,4R,5R,6R)-6-(aminomethyl)-4,5-dihydroxy-2-methoxyoxan-3-yl]acetamide;N-[(2S,3R,4R,5R)-4,5-dihydroxy-6,6-bis(hydroxymethyl)-2-methoxyoxan-3-yl]acetamide;N-[(1S,2R,3R,4R,5S)-2,3-dihydroxy-1-(hydroxymethyl)-6,8-dioxabicyclo[3.2.1]octan-4-yl]acetamide?

The IUPAC name of N-[(2S,3R,4R,5R,6R)-6-(aminomethyl)-4,5-dihydroxy-2-methoxyoxan-3-yl]acetamide;N-[(2S,3R,4R,5R)-4,5-dihydroxy-6,6-bis(hydroxymethyl)-2-methoxyoxan-3-yl]acetamide;N-[(1S,2R,3R,4R,5S)-2,3-dihydroxy-1-(hydroxymethyl)-6,8-dioxabicyclo[3.2.1]octan-4-yl]acetamide (CID 158394005) is N-[(2S,3R,4R,5R,6R)-6-(aminomethyl)-4,5-dihydroxy-2-methoxyoxan-3-yl]acetamide;N-[(2S,3R,4R,5R)-4,5-dihydroxy-6,6-bis(hydroxymethyl)-2-methoxyoxan-3-yl]acetamide;N-[(1S,2R,3R,4R,5S)-2,3-dihydroxy-1-(hydroxymethyl)-6,8-dioxabicyclo[3.2.1]octan-4-yl]acetamide.

What is the SMILES notation for N-[(2S,3R,4R,5R,6R)-6-(aminomethyl)-4,5-dihydroxy-2-methoxyoxan-3-yl]acetamide;N-[(2S,3R,4R,5R)-4,5-dihydroxy-6,6-bis(hydroxymethyl)-2-methoxyoxan-3-yl]acetamide;N-[(1S,2R,3R,4R,5S)-2,3-dihydroxy-1-(hydroxymethyl)-6,8-dioxabicyclo[3.2.1]octan-4-yl]acetamide?

The canonical SMILES for N-[(2S,3R,4R,5R,6R)-6-(aminomethyl)-4,5-dihydroxy-2-methoxyoxan-3-yl]acetamide;N-[(2S,3R,4R,5R)-4,5-dihydroxy-6,6-bis(hydroxymethyl)-2-methoxyoxan-3-yl]acetamide;N-[(1S,2R,3R,4R,5S)-2,3-dihydroxy-1-(hydroxymethyl)-6,8-dioxabicyclo[3.2.1]octan-4-yl]acetamide is CC(=O)N[C@H]1[C@H]2OC[C@](CO)(O2)[C@H](O)[C@@H]1O.CO[C@H]1OC(CO)(CO)[C@H](O)[C@H](O)[C@H]1NC(C)=O.CO[C@H]1O[C@H](CN)[C@H](O)[C@H](O)[C@H]1NC(C)=O.

What is the InChIKey of N-[(2S,3R,4R,5R,6R)-6-(aminomethyl)-4,5-dihydroxy-2-methoxyoxan-3-yl]acetamide;N-[(2S,3R,4R,5R)-4,5-dihydroxy-6,6-bis(hydroxymethyl)-2-methoxyoxan-3-yl]acetamide;N-[(1S,2R,3R,4R,5S)-2,3-dihydroxy-1-(hydroxymethyl)-6,8-dioxabicyclo[3.2.1]octan-4-yl]acetamide?

The InChIKey is GXHYQNQLBYPYLX-FORLUYEZSA-N. The full InChI is InChI=1S/C10H19NO7.C9H18N2O5.C9H15NO6/c1-5(14)11-6-7(15)8(16)10(3-12,4-13)18-9(6)17-2;1-4(12)11-6-8(14)7(13)5(3-10)16-9(6)15-2;1-4(12)10-5-6(13)7(14)9(2-11)3-15-8(5)16-9/h6-9,12-13,15-16H,3-4H2,1-2H3,(H,11,14);5-9,13-14H,3,10H2,1-2H3,(H,11,12);5-8,11,13-14H,2-3H2,1H3,(H,10,12)/t6-,7-,8-,9+;5-,6-,7+,8-,9+;5-,6-,7-,8+,9+/m111/s1.

What are the key properties of N-[(2S,3R,4R,5R,6R)-6-(aminomethyl)-4,5-dihydroxy-2-methoxyoxan-3-yl]acetamide;N-[(2S,3R,4R,5R)-4,5-dihydroxy-6,6-bis(hydroxymethyl)-2-methoxyoxan-3-yl]acetamide;N-[(1S,2R,3R,4R,5S)-2,3-dihydroxy-1-(hydroxymethyl)-6,8-dioxabicyclo[3.2.1]octan-4-yl]acetamide?

N-[(2S,3R,4R,5R,6R)-6-(aminomethyl)-4,5-dihydroxy-2-methoxyoxan-3-yl]acetamide;N-[(2S,3R,4R,5R)-4,5-dihydroxy-6,6-bis(hydroxymethyl)-2-methoxyoxan-3-yl]acetamide;N-[(1S,2R,3R,4R,5S)-2,3-dihydroxy-1-(hydroxymethyl)-6,8-dioxabicyclo[3.2.1]octan-4-yl]acetamide has a molecular weight of 732.73 g/mol, XLogP of -8.19, 9 rotatable bonds, 13 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S,3R,4R,5R,6R)-6-(aminomethyl)-4,5-dihydroxy-2-methoxyoxan-3-yl]acetamide;N-[(2S,3R,4R,5R)-4,5-dihydroxy-6,6-bis(hydroxymethyl)-2-methoxyoxan-3-yl]acetamide;N-[(1S,2R,3R,4R,5S)-2,3-dihydroxy-1-(hydroxymethyl)-6,8-dioxabicyclo[3.2.1]octan-4-yl]acetamide is sourced from PubChem (CID 158394005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).