[(3S,4S,6R)-5-acetamido-6-cyclohexyloxy-3,4-dimethyloxan-2-yl]methyl acetate;[(3R,4S,6R)-5-acetamido-6-cyclohexyloxy-3,4-dimethyloxan-2-yl]methyl acetate;[(3S,4S,6S)-5-acetamido-3,4-dimethyl-6-(2-methylpropyl)oxan-2-yl]methyl acetate;[(3R,4S,6S)-5-acetamido-3,4-dimethyl-6-(2-methylpropyl)oxan-2-yl]methyl acetate;[(3S,4S,6R)-5-acetamido-6-[(2E)-3,7-dimethylocta-2,6-dienoxy]-3,4-dimethyloxan-2-yl]methyl acetate;[(3R,4S,6R)-5-acetamido-6-[(2E)-3,7-dimethylocta-2,6-dienoxy]-3,4-dimethyloxan-2-yl]methyl acetate;[(3R,4S,6R)-5-acetamido-3,4-dimethyl-6-propan-2-yloxyoxan-2-yl]methyl acetate;[(3S,4S,6R)-5-acetamido-3,4-dimethyl-6-propan-2-yloxyoxan-2-yl]methyl acetate

C142H248N8O38 — CID 161229673

About [(3S,4S,6R)-5-acetamido-6-cyclohexyloxy-3,4-dimethyloxan-2-yl]methyl acetate;[(3R,4S,6R)-5-acetamido-6-cyclohexyloxy-3,4-dimethyloxan-2-yl]methyl acetate;[(3S,4S,6S)-5-acetamido-3,4-dimethyl-6-(2-methylpropyl)oxan-2-yl]methyl acetate;[(3R,4S,6S)-5-acetamido-3,4-dimethyl-6-(2-methylpropyl)oxan-2-yl]methyl acetate;[(3S,4S,6R)-5-acetamido-6-[(2E)-3,7-dimethylocta-2,6-dienoxy]-3,4-dimethyloxan-2-yl]methyl acetate;[(3R,4S,6R)-5-acetamido-6-[(2E)-3,7-dimethylocta-2,6-dienoxy]-3,4-dimethyloxan-2-yl]methyl acetate;[(3R,4S,6R)-5-acetamido-3,4-dimethyl-6-propan-2-yloxyoxan-2-yl]methyl acetate;[(3S,4S,6R)-5-acetamido-3,4-dimethyl-6-propan-2-yloxyoxan-2-yl]methyl acetate

[(3S,4S,6R)-5-acetamido-6-cyclohexyloxy-3,4-dimethyloxan-2-yl]methyl acetate;[(3R,4S,6R)-5-acetamido-6-cyclohexyloxy-3,4-dimethyloxan-2-yl]methyl acetate;[(3S,4S,6S)-5-acetamido-3,4-dimethyl-6-(2-methylpropyl)oxan-2-yl]methyl acetate;[(3R,4S,6S)-5-acetamido-3,4-dimethyl-6-(2-methylpropyl)oxan-2-yl]methyl acetate;[(3S,4S,6R)-5-acetamido-6-[(2E)-3,7-dimethylocta-2,6-dienoxy]-3,4-dimethyloxan-2-yl]methyl acetate;[(3R,4S,6R)-5-acetamido-6-[(2E)-3,7-dimethylocta-2,6-dienoxy]-3,4-dimethyloxan-2-yl]methyl acetate;[(3R,4S,6R)-5-acetamido-3,4-dimethyl-6-propan-2-yloxyoxan-2-yl]methyl acetate;[(3S,4S,6R)-5-acetamido-3,4-dimethyl-6-propan-2-yloxyoxan-2-yl]methyl acetate (PubChem CID 161229673) has the molecular formula C142H248N8O38 and a molecular weight of 2675.56 g/mol. Its IUPAC name is [(3S,4S,6R)-5-acetamido-6-cyclohexyloxy-3,4-dimethyloxan-2-yl]methyl acetate;[(3R,4S,6R)-5-acetamido-6-cyclohexyloxy-3,4-dimethyloxan-2-yl]methyl acetate;[(3S,4S,6S)-5-acetamido-3,4-dimethyl-6-(2-methylpropyl)oxan-2-yl]methyl acetate;[(3R,4S,6S)-5-acetamido-3,4-dimethyl-6-(2-methylpropyl)oxan-2-yl]methyl acetate;[(3S,4S,6R)-5-acetamido-6-[(2E)-3,7-dimethylocta-2,6-dienoxy]-3,4-dimethyloxan-2-yl]methyl acetate;[(3R,4S,6R)-5-acetamido-6-[(2E)-3,7-dimethylocta-2,6-dienoxy]-3,4-dimethyloxan-2-yl]methyl acetate;[(3R,4S,6R)-5-acetamido-3,4-dimethyl-6-propan-2-yloxyoxan-2-yl]methyl acetate;[(3S,4S,6R)-5-acetamido-3,4-dimethyl-6-propan-2-yloxyoxan-2-yl]methyl acetate.

Molecular Properties

• Compound Name: [(3S,4S,6R)-5-acetamido-6-cyclohexyloxy-3,4-dimethyloxan-2-yl]methyl acetate;[(3R,4S,6R)-5-acetamido-6-cyclohexyloxy-3,4-dimethyloxan-2-yl]methyl acetate;[(3S,4S,6S)-5-acetamido-3,4-dimethyl-6-(2-methylpropyl)oxan-2-yl]methyl acetate;[(3R,4S,6S)-5-acetamido-3,4-dimethyl-6-(2-methylpropyl)oxan-2-yl]methyl acetate;[(3S,4S,6R)-5-acetamido-6-[(2E)-3,7-dimethylocta-2,6-dienoxy]-3,4-dimethyloxan-2-yl]methyl acetate;[(3R,4S,6R)-5-acetamido-6-[(2E)-3,7-dimethylocta-2,6-dienoxy]-3,4-dimethyloxan-2-yl]methyl acetate;[(3R,4S,6R)-5-acetamido-3,4-dimethyl-6-propan-2-yloxyoxan-2-yl]methyl acetate;[(3S,4S,6R)-5-acetamido-3,4-dimethyl-6-propan-2-yloxyoxan-2-yl]methyl acetate
• PubChem CID: 161229673
• Molecular Formula: C142H248N8O38
• Molecular Weight: 2675.56 g/mol
• Exact Mass: 2673.77
• IUPAC Name: [(3S,4S,6R)-5-acetamido-6-cyclohexyloxy-3,4-dimethyloxan-2-yl]methyl acetate;[(3R,4S,6R)-5-acetamido-6-cyclohexyloxy-3,4-dimethyloxan-2-yl]methyl acetate;[(3S,4S,6S)-5-acetamido-3,4-dimethyl-6-(2-methylpropyl)oxan-2-yl]methyl acetate;[(3R,4S,6S)-5-acetamido-3,4-dimethyl-6-(2-methylpropyl)oxan-2-yl]methyl acetate;[(3S,4S,6R)-5-acetamido-6-[(2E)-3,7-dimethylocta-2,6-dienoxy]-3,4-dimethyloxan-2-yl]methyl acetate;[(3R,4S,6R)-5-acetamido-6-[(2E)-3,7-dimethylocta-2,6-dienoxy]-3,4-dimethyloxan-2-yl]methyl acetate;[(3R,4S,6R)-5-acetamido-3,4-dimethyl-6-propan-2-yloxyoxan-2-yl]methyl acetate;[(3S,4S,6R)-5-acetamido-3,4-dimethyl-6-propan-2-yloxyoxan-2-yl]methyl acetate
• SMILES: CC(=O)NC1[C@H](CC(C)C)OC(COC(C)=O)[C@@H](C)[C@@H]1C.CC(=O)NC1[C@H](CC(C)C)OC(COC(C)=O)[C@H](C)[C@@H]1C.CC(=O)NC1[C@H](OC(C)C)OC(COC(C)=O)[C@@H](C)[C@@H]1C.CC(=O)NC1[C@H](OC(C)C)OC(COC(C)=O)[C@H](C)[C@@H]1C.CC(=O)NC1[C@H](OC/C=C(\C)CCC=C(C)C)OC(COC(C)=O)[C@@H](C)[C@@H]1C.CC(=O)NC1[C@H](OC/C=C(\C)CCC=C(C)C)OC(COC(C)=O)[C@H](C)[C@@H]1C.CC(=O)NC1[C@H](OC2CCCCC2)OC(COC(C)=O)[C@@H](C)[C@@H]1C.CC(=O)NC1[C@H](OC2CCCCC2)OC(COC(C)=O)[C@H](C)[C@@H]1C
• InChI: InChI=1S/2C22H37NO5.2C18H31NO5.2C16H29NO4.2C15H27NO5/c2*1-14(2)9-8-10-15(3)11-12-26-22-21(23-18(6)24)17(5)16(4)20(28-22)13-27-19(7)25;2*1-11-12(2)17(19-13(3)20)18(23-15-8-6-5-7-9-15)24-16(11)10-22-14(4)21;2*1-9(2)7-14-16(17-12(5)18)11(4)10(3)15(21-14)8-20-13(6)19;2*1-8(2)20-15-14(16-11(5)17)10(4)9(3)13(21-15)7-19-12(6)18/h2*9,11,16-17,20-22H,8,10,12-13H2,1-7H3,(H,23,24);2*11-12,15-18H,5-10H2,1-4H3,(H,19,20);2*9-11,14-16H,7-8H2,1-6H3,(H,17,18);2*8-10,13-15H,7H2,1-6H3,(H,16,17)/b2*15-11+;;;;;;/t16-,17+,20?,21?,22-;16-,17-,20?,21?,22+;11-,12+,16?,17?,18-;11-,12-,16?,17?,18+;10-,11+,14+,15?,16?;10-,11-,14-,15?,16?;9-,10+,13?,14?,15-;9-,10-,13?,14?,15+/m10101010/s1
• InChIKey: UYOXIEKZYYFWPR-FFKOECFSSA-N
• XLogP: 19.55
• TPSA: 572.42 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 38
• Rotatable Bonds: 48
• Heavy Atoms: 188
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2675.56
LogP ≤ 5	19.55
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	38

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [(3S,4S,6R)-5-acetamido-6-cyclohexyloxy-3,4-dimethyloxan-2-yl]methyl acetate;[(3R,4S,6R)-5-acetamido-6-cyclohexyloxy-3,4-dimethyloxan-2-yl]methyl acetate;[(3S,4S,6S)-5-acetamido-3,4-dimethyl-6-(2-methylpropyl)oxan-2-yl]methyl acetate;[(3R,4S,6S)-5-acetamido-3,4-dimethyl-6-(2-methylpropyl)oxan-2-yl]methyl acetate;[(3S,4S,6R)-5-acetamido-6-[(2E)-3,7-dimethylocta-2,6-dienoxy]-3,4-dimethyloxan-2-yl]methyl acetate;[(3R,4S,6R)-5-acetamido-6-[(2E)-3,7-dimethylocta-2,6-dienoxy]-3,4-dimethyloxan-2-yl]methyl acetate;[(3R,4S,6R)-5-acetamido-3,4-dimethyl-6-propan-2-yloxyoxan-2-yl]methyl acetate;[(3S,4S,6R)-5-acetamido-3,4-dimethyl-6-propan-2-yloxyoxan-2-yl]methyl acetate?

The IUPAC name of [(3S,4S,6R)-5-acetamido-6-cyclohexyloxy-3,4-dimethyloxan-2-yl]methyl acetate;[(3R,4S,6R)-5-acetamido-6-cyclohexyloxy-3,4-dimethyloxan-2-yl]methyl acetate;[(3S,4S,6S)-5-acetamido-3,4-dimethyl-6-(2-methylpropyl)oxan-2-yl]methyl acetate;[(3R,4S,6S)-5-acetamido-3,4-dimethyl-6-(2-methylpropyl)oxan-2-yl]methyl acetate;[(3S,4S,6R)-5-acetamido-6-[(2E)-3,7-dimethylocta-2,6-dienoxy]-3,4-dimethyloxan-2-yl]methyl acetate;[(3R,4S,6R)-5-acetamido-6-[(2E)-3,7-dimethylocta-2,6-dienoxy]-3,4-dimethyloxan-2-yl]methyl acetate;[(3R,4S,6R)-5-acetamido-3,4-dimethyl-6-propan-2-yloxyoxan-2-yl]methyl acetate;[(3S,4S,6R)-5-acetamido-3,4-dimethyl-6-propan-2-yloxyoxan-2-yl]methyl acetate (CID 161229673) is [(3S,4S,6R)-5-acetamido-6-cyclohexyloxy-3,4-dimethyloxan-2-yl]methyl acetate;[(3R,4S,6R)-5-acetamido-6-cyclohexyloxy-3,4-dimethyloxan-2-yl]methyl acetate;[(3S,4S,6S)-5-acetamido-3,4-dimethyl-6-(2-methylpropyl)oxan-2-yl]methyl acetate;[(3R,4S,6S)-5-acetamido-3,4-dimethyl-6-(2-methylpropyl)oxan-2-yl]methyl acetate;[(3S,4S,6R)-5-acetamido-6-[(2E)-3,7-dimethylocta-2,6-dienoxy]-3,4-dimethyloxan-2-yl]methyl acetate;[(3R,4S,6R)-5-acetamido-6-[(2E)-3,7-dimethylocta-2,6-dienoxy]-3,4-dimethyloxan-2-yl]methyl acetate;[(3R,4S,6R)-5-acetamido-3,4-dimethyl-6-propan-2-yloxyoxan-2-yl]methyl acetate;[(3S,4S,6R)-5-acetamido-3,4-dimethyl-6-propan-2-yloxyoxan-2-yl]methyl acetate.

What is the SMILES notation for [(3S,4S,6R)-5-acetamido-6-cyclohexyloxy-3,4-dimethyloxan-2-yl]methyl acetate;[(3R,4S,6R)-5-acetamido-6-cyclohexyloxy-3,4-dimethyloxan-2-yl]methyl acetate;[(3S,4S,6S)-5-acetamido-3,4-dimethyl-6-(2-methylpropyl)oxan-2-yl]methyl acetate;[(3R,4S,6S)-5-acetamido-3,4-dimethyl-6-(2-methylpropyl)oxan-2-yl]methyl acetate;[(3S,4S,6R)-5-acetamido-6-[(2E)-3,7-dimethylocta-2,6-dienoxy]-3,4-dimethyloxan-2-yl]methyl acetate;[(3R,4S,6R)-5-acetamido-6-[(2E)-3,7-dimethylocta-2,6-dienoxy]-3,4-dimethyloxan-2-yl]methyl acetate;[(3R,4S,6R)-5-acetamido-3,4-dimethyl-6-propan-2-yloxyoxan-2-yl]methyl acetate;[(3S,4S,6R)-5-acetamido-3,4-dimethyl-6-propan-2-yloxyoxan-2-yl]methyl acetate?

The canonical SMILES for [(3S,4S,6R)-5-acetamido-6-cyclohexyloxy-3,4-dimethyloxan-2-yl]methyl acetate;[(3R,4S,6R)-5-acetamido-6-cyclohexyloxy-3,4-dimethyloxan-2-yl]methyl acetate;[(3S,4S,6S)-5-acetamido-3,4-dimethyl-6-(2-methylpropyl)oxan-2-yl]methyl acetate;[(3R,4S,6S)-5-acetamido-3,4-dimethyl-6-(2-methylpropyl)oxan-2-yl]methyl acetate;[(3S,4S,6R)-5-acetamido-6-[(2E)-3,7-dimethylocta-2,6-dienoxy]-3,4-dimethyloxan-2-yl]methyl acetate;[(3R,4S,6R)-5-acetamido-6-[(2E)-3,7-dimethylocta-2,6-dienoxy]-3,4-dimethyloxan-2-yl]methyl acetate;[(3R,4S,6R)-5-acetamido-3,4-dimethyl-6-propan-2-yloxyoxan-2-yl]methyl acetate;[(3S,4S,6R)-5-acetamido-3,4-dimethyl-6-propan-2-yloxyoxan-2-yl]methyl acetate is CC(=O)NC1[C@H](CC(C)C)OC(COC(C)=O)[C@@H](C)[C@@H]1C.CC(=O)NC1[C@H](CC(C)C)OC(COC(C)=O)[C@H](C)[C@@H]1C.CC(=O)NC1[C@H](OC(C)C)OC(COC(C)=O)[C@@H](C)[C@@H]1C.CC(=O)NC1[C@H](OC(C)C)OC(COC(C)=O)[C@H](C)[C@@H]1C.CC(=O)NC1[C@H](OC/C=C(\C)CCC=C(C)C)OC(COC(C)=O)[C@@H](C)[C@@H]1C.CC(=O)NC1[C@H](OC/C=C(\C)CCC=C(C)C)OC(COC(C)=O)[C@H](C)[C@@H]1C.CC(=O)NC1[C@H](OC2CCCCC2)OC(COC(C)=O)[C@@H](C)[C@@H]1C.CC(=O)NC1[C@H](OC2CCCCC2)OC(COC(C)=O)[C@H](C)[C@@H]1C.

What is the InChIKey of [(3S,4S,6R)-5-acetamido-6-cyclohexyloxy-3,4-dimethyloxan-2-yl]methyl acetate;[(3R,4S,6R)-5-acetamido-6-cyclohexyloxy-3,4-dimethyloxan-2-yl]methyl acetate;[(3S,4S,6S)-5-acetamido-3,4-dimethyl-6-(2-methylpropyl)oxan-2-yl]methyl acetate;[(3R,4S,6S)-5-acetamido-3,4-dimethyl-6-(2-methylpropyl)oxan-2-yl]methyl acetate;[(3S,4S,6R)-5-acetamido-6-[(2E)-3,7-dimethylocta-2,6-dienoxy]-3,4-dimethyloxan-2-yl]methyl acetate;[(3R,4S,6R)-5-acetamido-6-[(2E)-3,7-dimethylocta-2,6-dienoxy]-3,4-dimethyloxan-2-yl]methyl acetate;[(3R,4S,6R)-5-acetamido-3,4-dimethyl-6-propan-2-yloxyoxan-2-yl]methyl acetate;[(3S,4S,6R)-5-acetamido-3,4-dimethyl-6-propan-2-yloxyoxan-2-yl]methyl acetate?

The InChIKey is UYOXIEKZYYFWPR-FFKOECFSSA-N. The full InChI is InChI=1S/2C22H37NO5.2C18H31NO5.2C16H29NO4.2C15H27NO5/c2*1-14(2)9-8-10-15(3)11-12-26-22-21(23-18(6)24)17(5)16(4)20(28-22)13-27-19(7)25;2*1-11-12(2)17(19-13(3)20)18(23-15-8-6-5-7-9-15)24-16(11)10-22-14(4)21;2*1-9(2)7-14-16(17-12(5)18)11(4)10(3)15(21-14)8-20-13(6)19;2*1-8(2)20-15-14(16-11(5)17)10(4)9(3)13(21-15)7-19-12(6)18/h2*9,11,16-17,20-22H,8,10,12-13H2,1-7H3,(H,23,24);2*11-12,15-18H,5-10H2,1-4H3,(H,19,20);2*9-11,14-16H,7-8H2,1-6H3,(H,17,18);2*8-10,13-15H,7H2,1-6H3,(H,16,17)/b2*15-11+;;;;;;/t16-,17+,20?,21?,22-;16-,17-,20?,21?,22+;11-,12+,16?,17?,18-;11-,12-,16?,17?,18+;10-,11+,14+,15?,16?;10-,11-,14-,15?,16?;9-,10+,13?,14?,15-;9-,10-,13?,14?,15+/m10101010/s1.

What are the key properties of [(3S,4S,6R)-5-acetamido-6-cyclohexyloxy-3,4-dimethyloxan-2-yl]methyl acetate;[(3R,4S,6R)-5-acetamido-6-cyclohexyloxy-3,4-dimethyloxan-2-yl]methyl acetate;[(3S,4S,6S)-5-acetamido-3,4-dimethyl-6-(2-methylpropyl)oxan-2-yl]methyl acetate;[(3R,4S,6S)-5-acetamido-3,4-dimethyl-6-(2-methylpropyl)oxan-2-yl]methyl acetate;[(3S,4S,6R)-5-acetamido-6-[(2E)-3,7-dimethylocta-2,6-dienoxy]-3,4-dimethyloxan-2-yl]methyl acetate;[(3R,4S,6R)-5-acetamido-6-[(2E)-3,7-dimethylocta-2,6-dienoxy]-3,4-dimethyloxan-2-yl]methyl acetate;[(3R,4S,6R)-5-acetamido-3,4-dimethyl-6-propan-2-yloxyoxan-2-yl]methyl acetate;[(3S,4S,6R)-5-acetamido-3,4-dimethyl-6-propan-2-yloxyoxan-2-yl]methyl acetate?

[(3S,4S,6R)-5-acetamido-6-cyclohexyloxy-3,4-dimethyloxan-2-yl]methyl acetate;[(3R,4S,6R)-5-acetamido-6-cyclohexyloxy-3,4-dimethyloxan-2-yl]methyl acetate;[(3S,4S,6S)-5-acetamido-3,4-dimethyl-6-(2-methylpropyl)oxan-2-yl]methyl acetate;[(3R,4S,6S)-5-acetamido-3,4-dimethyl-6-(2-methylpropyl)oxan-2-yl]methyl acetate;[(3S,4S,6R)-5-acetamido-6-[(2E)-3,7-dimethylocta-2,6-dienoxy]-3,4-dimethyloxan-2-yl]methyl acetate;[(3R,4S,6R)-5-acetamido-6-[(2E)-3,7-dimethylocta-2,6-dienoxy]-3,4-dimethyloxan-2-yl]methyl acetate;[(3R,4S,6R)-5-acetamido-3,4-dimethyl-6-propan-2-yloxyoxan-2-yl]methyl acetate;[(3S,4S,6R)-5-acetamido-3,4-dimethyl-6-propan-2-yloxyoxan-2-yl]methyl acetate has a molecular weight of 2675.56 g/mol, XLogP of 19.55, 48 rotatable bonds, 8 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for [(3S,4S,6R)-5-acetamido-6-cyclohexyloxy-3,4-dimethyloxan-2-yl]methyl acetate;[(3R,4S,6R)-5-acetamido-6-cyclohexyloxy-3,4-dimethyloxan-2-yl]methyl acetate;[(3S,4S,6S)-5-acetamido-3,4-dimethyl-6-(2-methylpropyl)oxan-2-yl]methyl acetate;[(3R,4S,6S)-5-acetamido-3,4-dimethyl-6-(2-methylpropyl)oxan-2-yl]methyl acetate;[(3S,4S,6R)-5-acetamido-6-[(2E)-3,7-dimethylocta-2,6-dienoxy]-3,4-dimethyloxan-2-yl]methyl acetate;[(3R,4S,6R)-5-acetamido-6-[(2E)-3,7-dimethylocta-2,6-dienoxy]-3,4-dimethyloxan-2-yl]methyl acetate;[(3R,4S,6R)-5-acetamido-3,4-dimethyl-6-propan-2-yloxyoxan-2-yl]methyl acetate;[(3S,4S,6R)-5-acetamido-3,4-dimethyl-6-propan-2-yloxyoxan-2-yl]methyl acetate is sourced from PubChem (CID 161229673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).