(2S,3S,6S)-2-ethyl-3-[(2R,5S,6S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-6-[(3S,4R,6R)-2-ethyl-4,5,6-trimethyloxan-3-yl]oxy-4,5-dimethyloxane

C29H54O5 — CID 90909875

About (2S,3S,6S)-2-ethyl-3-[(2R,5S,6S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-6-[(3S,4R,6R)-2-ethyl-4,5,6-trimethyloxan-3-yl]oxy-4,5-dimethyloxane

(2S,3S,6S)-2-ethyl-3-[(2R,5S,6S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-6-[(3S,4R,6R)-2-ethyl-4,5,6-trimethyloxan-3-yl]oxy-4,5-dimethyloxane (PubChem CID 90909875) has the molecular formula C29H54O5 and a molecular weight of 482.75 g/mol. Its IUPAC name is (2S,3S,6S)-2-ethyl-3-[(2R,5S,6S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-6-[(3S,4R,6R)-2-ethyl-4,5,6-trimethyloxan-3-yl]oxy-4,5-dimethyloxane.

Molecular Properties

• Compound Name: (2S,3S,6S)-2-ethyl-3-[(2R,5S,6S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-6-[(3S,4R,6R)-2-ethyl-4,5,6-trimethyloxan-3-yl]oxy-4,5-dimethyloxane
• PubChem CID: 90909875
• Molecular Formula: C29H54O5
• Molecular Weight: 482.75 g/mol
• Exact Mass: 482.40
• IUPAC Name: (2S,3S,6S)-2-ethyl-3-[(2R,5S,6S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-6-[(3S,4R,6R)-2-ethyl-4,5,6-trimethyloxan-3-yl]oxy-4,5-dimethyloxane
• SMILES: CCC1O[C@H](C)C(C)[C@@H](C)[C@@H]1O[C@@H]1O[C@@H](CC)[C@@H](O[C@H]2O[C@@H](CC)[C@@H](C)C(C)C2C)C(C)C1C
• InChI: InChI=1S/C29H54O5/c1-12-23-17(6)15(4)20(9)28(31-23)34-27-19(8)21(10)29(32-25(27)14-3)33-26-18(7)16(5)22(11)30-24(26)13-2/h15-29H,12-14H2,1-11H3/t15?,16?,17-,18+,19?,20?,21?,22+,23-,24?,25-,26-,27-,28+,29-/m0/s1
• InChIKey: IAQIESUZEKJBLL-JPODXSJTSA-N
• XLogP: 6.68
• TPSA: 46.15 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	482.75
LogP ≤ 5	6.68
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (2S,3S,6S)-2-ethyl-3-[(2R,5S,6S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-6-[(3S,4R,6R)-2-ethyl-4,5,6-trimethyloxan-3-yl]oxy-4,5-dimethyloxane?

The IUPAC name of (2S,3S,6S)-2-ethyl-3-[(2R,5S,6S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-6-[(3S,4R,6R)-2-ethyl-4,5,6-trimethyloxan-3-yl]oxy-4,5-dimethyloxane (CID 90909875) is (2S,3S,6S)-2-ethyl-3-[(2R,5S,6S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-6-[(3S,4R,6R)-2-ethyl-4,5,6-trimethyloxan-3-yl]oxy-4,5-dimethyloxane.

What is the SMILES notation for (2S,3S,6S)-2-ethyl-3-[(2R,5S,6S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-6-[(3S,4R,6R)-2-ethyl-4,5,6-trimethyloxan-3-yl]oxy-4,5-dimethyloxane?

The canonical SMILES for (2S,3S,6S)-2-ethyl-3-[(2R,5S,6S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-6-[(3S,4R,6R)-2-ethyl-4,5,6-trimethyloxan-3-yl]oxy-4,5-dimethyloxane is CCC1O[C@H](C)C(C)[C@@H](C)[C@@H]1O[C@@H]1O[C@@H](CC)[C@@H](O[C@H]2O[C@@H](CC)[C@@H](C)C(C)C2C)C(C)C1C.

What is the InChIKey of (2S,3S,6S)-2-ethyl-3-[(2R,5S,6S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-6-[(3S,4R,6R)-2-ethyl-4,5,6-trimethyloxan-3-yl]oxy-4,5-dimethyloxane?

The InChIKey is IAQIESUZEKJBLL-JPODXSJTSA-N. The full InChI is InChI=1S/C29H54O5/c1-12-23-17(6)15(4)20(9)28(31-23)34-27-19(8)21(10)29(32-25(27)14-3)33-26-18(7)16(5)22(11)30-24(26)13-2/h15-29H,12-14H2,1-11H3/t15?,16?,17-,18+,19?,20?,21?,22+,23-,24?,25-,26-,27-,28+,29-/m0/s1.

What are the key properties of (2S,3S,6S)-2-ethyl-3-[(2R,5S,6S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-6-[(3S,4R,6R)-2-ethyl-4,5,6-trimethyloxan-3-yl]oxy-4,5-dimethyloxane?

(2S,3S,6S)-2-ethyl-3-[(2R,5S,6S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-6-[(3S,4R,6R)-2-ethyl-4,5,6-trimethyloxan-3-yl]oxy-4,5-dimethyloxane has a molecular weight of 482.75 g/mol, XLogP of 6.68, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2S,3S,6S)-2-ethyl-3-[(2R,5S,6S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-6-[(3S,4R,6R)-2-ethyl-4,5,6-trimethyloxan-3-yl]oxy-4,5-dimethyloxane is sourced from PubChem (CID 90909875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).