(3S,4R,6S)-2-ethyl-4-[(2S,4S,5R)-6-ethyl-4,5-dimethyl-3-[(2S,4S,5S)-3,4,5,6-tetramethyloxan-2-yl]oxyoxan-2-yl]oxy-3,5,6-trimethyloxane;(3S,4R,6S)-2-ethyl-3-[(2S,4R,5R)-6-ethyl-5-[(2R,4S,5S)-6-ethyl-4-methoxy-3,5-dimethyloxan-2-yl]oxy-3,4-dimethyloxan-2-yl]oxy-4,5-dimethyl-6-propan-2-yloxane

C59H110O11 — CID 158856498

About (3S,4R,6S)-2-ethyl-4-[(2S,4S,5R)-6-ethyl-4,5-dimethyl-3-[(2S,4S,5S)-3,4,5,6-tetramethyloxan-2-yl]oxyoxan-2-yl]oxy-3,5,6-trimethyloxane;(3S,4R,6S)-2-ethyl-3-[(2S,4R,5R)-6-ethyl-5-[(2R,4S,5S)-6-ethyl-4-methoxy-3,5-dimethyloxan-2-yl]oxy-3,4-dimethyloxan-2-yl]oxy-4,5-dimethyl-6-propan-2-yloxane

(3S,4R,6S)-2-ethyl-4-[(2S,4S,5R)-6-ethyl-4,5-dimethyl-3-[(2S,4S,5S)-3,4,5,6-tetramethyloxan-2-yl]oxyoxan-2-yl]oxy-3,5,6-trimethyloxane;(3S,4R,6S)-2-ethyl-3-[(2S,4R,5R)-6-ethyl-5-[(2R,4S,5S)-6-ethyl-4-methoxy-3,5-dimethyloxan-2-yl]oxy-3,4-dimethyloxan-2-yl]oxy-4,5-dimethyl-6-propan-2-yloxane (PubChem CID 158856498) has the molecular formula C59H110O11 and a molecular weight of 995.52 g/mol. Its IUPAC name is (3S,4R,6S)-2-ethyl-4-[(2S,4S,5R)-6-ethyl-4,5-dimethyl-3-[(2S,4S,5S)-3,4,5,6-tetramethyloxan-2-yl]oxyoxan-2-yl]oxy-3,5,6-trimethyloxane;(3S,4R,6S)-2-ethyl-3-[(2S,4R,5R)-6-ethyl-5-[(2R,4S,5S)-6-ethyl-4-methoxy-3,5-dimethyloxan-2-yl]oxy-3,4-dimethyloxan-2-yl]oxy-4,5-dimethyl-6-propan-2-yloxane.

Molecular Properties

• Compound Name: (3S,4R,6S)-2-ethyl-4-[(2S,4S,5R)-6-ethyl-4,5-dimethyl-3-[(2S,4S,5S)-3,4,5,6-tetramethyloxan-2-yl]oxyoxan-2-yl]oxy-3,5,6-trimethyloxane;(3S,4R,6S)-2-ethyl-3-[(2S,4R,5R)-6-ethyl-5-[(2R,4S,5S)-6-ethyl-4-methoxy-3,5-dimethyloxan-2-yl]oxy-3,4-dimethyloxan-2-yl]oxy-4,5-dimethyl-6-propan-2-yloxane
• PubChem CID: 158856498
• Molecular Formula: C59H110O11
• Molecular Weight: 995.52 g/mol
• Exact Mass: 994.80
• IUPAC Name: (3S,4R,6S)-2-ethyl-4-[(2S,4S,5R)-6-ethyl-4,5-dimethyl-3-[(2S,4S,5S)-3,4,5,6-tetramethyloxan-2-yl]oxyoxan-2-yl]oxy-3,5,6-trimethyloxane;(3S,4R,6S)-2-ethyl-3-[(2S,4R,5R)-6-ethyl-5-[(2R,4S,5S)-6-ethyl-4-methoxy-3,5-dimethyloxan-2-yl]oxy-3,4-dimethyloxan-2-yl]oxy-4,5-dimethyl-6-propan-2-yloxane
• SMILES: CCC1O[C@@H](C(C)C)C(C)[C@@H](C)[C@@H]1O[C@@H]1OC(CC)[C@H](O[C@H]2OC(CC)[C@H](C)[C@H](OC)C2C)[C@H](C)C1C.CCC1O[C@@H](O[C@@H]2C(C)[C@H](C)OC(CC)[C@@H]2C)C(O[C@@H]2OC(C)[C@@H](C)[C@H](C)C2C)[C@@H](C)[C@H]1C
• InChI: InChI=1S/C31H58O6.C28H52O5/c1-13-23-21(10)27(32-12)22(11)31(34-23)37-29-19(8)20(9)30(35-25(29)15-3)36-28-18(7)17(6)26(16(4)5)33-24(28)14-2;1-12-23-16(5)17(6)26(33-27-18(7)14(3)15(4)21(10)30-27)28(31-23)32-25-19(8)22(11)29-24(13-2)20(25)9/h16-31H,13-15H2,1-12H3;14-28H,12-13H2,1-11H3/t17?,18-,19-,20?,21+,22?,23?,24?,25?,26+,27+,28+,29-,30+,31-;14-,15-,16+,17-,18?,19?,20-,21?,22-,23?,24?,25+,26?,27-,28-/m10/s1
• InChIKey: JACSMTQZOHUBNR-VDFOWKMNSA-N
• XLogP: 12.98
• TPSA: 101.53 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 15
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	995.52
LogP ≤ 5	12.98
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of (3S,4R,6S)-2-ethyl-4-[(2S,4S,5R)-6-ethyl-4,5-dimethyl-3-[(2S,4S,5S)-3,4,5,6-tetramethyloxan-2-yl]oxyoxan-2-yl]oxy-3,5,6-trimethyloxane;(3S,4R,6S)-2-ethyl-3-[(2S,4R,5R)-6-ethyl-5-[(2R,4S,5S)-6-ethyl-4-methoxy-3,5-dimethyloxan-2-yl]oxy-3,4-dimethyloxan-2-yl]oxy-4,5-dimethyl-6-propan-2-yloxane?

The IUPAC name of (3S,4R,6S)-2-ethyl-4-[(2S,4S,5R)-6-ethyl-4,5-dimethyl-3-[(2S,4S,5S)-3,4,5,6-tetramethyloxan-2-yl]oxyoxan-2-yl]oxy-3,5,6-trimethyloxane;(3S,4R,6S)-2-ethyl-3-[(2S,4R,5R)-6-ethyl-5-[(2R,4S,5S)-6-ethyl-4-methoxy-3,5-dimethyloxan-2-yl]oxy-3,4-dimethyloxan-2-yl]oxy-4,5-dimethyl-6-propan-2-yloxane (CID 158856498) is (3S,4R,6S)-2-ethyl-4-[(2S,4S,5R)-6-ethyl-4,5-dimethyl-3-[(2S,4S,5S)-3,4,5,6-tetramethyloxan-2-yl]oxyoxan-2-yl]oxy-3,5,6-trimethyloxane;(3S,4R,6S)-2-ethyl-3-[(2S,4R,5R)-6-ethyl-5-[(2R,4S,5S)-6-ethyl-4-methoxy-3,5-dimethyloxan-2-yl]oxy-3,4-dimethyloxan-2-yl]oxy-4,5-dimethyl-6-propan-2-yloxane.

What is the SMILES notation for (3S,4R,6S)-2-ethyl-4-[(2S,4S,5R)-6-ethyl-4,5-dimethyl-3-[(2S,4S,5S)-3,4,5,6-tetramethyloxan-2-yl]oxyoxan-2-yl]oxy-3,5,6-trimethyloxane;(3S,4R,6S)-2-ethyl-3-[(2S,4R,5R)-6-ethyl-5-[(2R,4S,5S)-6-ethyl-4-methoxy-3,5-dimethyloxan-2-yl]oxy-3,4-dimethyloxan-2-yl]oxy-4,5-dimethyl-6-propan-2-yloxane?

The canonical SMILES for (3S,4R,6S)-2-ethyl-4-[(2S,4S,5R)-6-ethyl-4,5-dimethyl-3-[(2S,4S,5S)-3,4,5,6-tetramethyloxan-2-yl]oxyoxan-2-yl]oxy-3,5,6-trimethyloxane;(3S,4R,6S)-2-ethyl-3-[(2S,4R,5R)-6-ethyl-5-[(2R,4S,5S)-6-ethyl-4-methoxy-3,5-dimethyloxan-2-yl]oxy-3,4-dimethyloxan-2-yl]oxy-4,5-dimethyl-6-propan-2-yloxane is CCC1O[C@@H](C(C)C)C(C)[C@@H](C)[C@@H]1O[C@@H]1OC(CC)[C@H](O[C@H]2OC(CC)[C@H](C)[C@H](OC)C2C)[C@H](C)C1C.CCC1O[C@@H](O[C@@H]2C(C)[C@H](C)OC(CC)[C@@H]2C)C(O[C@@H]2OC(C)[C@@H](C)[C@H](C)C2C)[C@@H](C)[C@H]1C.

What is the InChIKey of (3S,4R,6S)-2-ethyl-4-[(2S,4S,5R)-6-ethyl-4,5-dimethyl-3-[(2S,4S,5S)-3,4,5,6-tetramethyloxan-2-yl]oxyoxan-2-yl]oxy-3,5,6-trimethyloxane;(3S,4R,6S)-2-ethyl-3-[(2S,4R,5R)-6-ethyl-5-[(2R,4S,5S)-6-ethyl-4-methoxy-3,5-dimethyloxan-2-yl]oxy-3,4-dimethyloxan-2-yl]oxy-4,5-dimethyl-6-propan-2-yloxane?

The InChIKey is JACSMTQZOHUBNR-VDFOWKMNSA-N. The full InChI is InChI=1S/C31H58O6.C28H52O5/c1-13-23-21(10)27(32-12)22(11)31(34-23)37-29-19(8)20(9)30(35-25(29)15-3)36-28-18(7)17(6)26(16(4)5)33-24(28)14-2;1-12-23-16(5)17(6)26(33-27-18(7)14(3)15(4)21(10)30-27)28(31-23)32-25-19(8)22(11)29-24(13-2)20(25)9/h16-31H,13-15H2,1-12H3;14-28H,12-13H2,1-11H3/t17?,18-,19-,20?,21+,22?,23?,24?,25?,26+,27+,28+,29-,30+,31-;14-,15-,16+,17-,18?,19?,20-,21?,22-,23?,24?,25+,26?,27-,28-/m10/s1.

What are the key properties of (3S,4R,6S)-2-ethyl-4-[(2S,4S,5R)-6-ethyl-4,5-dimethyl-3-[(2S,4S,5S)-3,4,5,6-tetramethyloxan-2-yl]oxyoxan-2-yl]oxy-3,5,6-trimethyloxane;(3S,4R,6S)-2-ethyl-3-[(2S,4R,5R)-6-ethyl-5-[(2R,4S,5S)-6-ethyl-4-methoxy-3,5-dimethyloxan-2-yl]oxy-3,4-dimethyloxan-2-yl]oxy-4,5-dimethyl-6-propan-2-yloxane?

(3S,4R,6S)-2-ethyl-4-[(2S,4S,5R)-6-ethyl-4,5-dimethyl-3-[(2S,4S,5S)-3,4,5,6-tetramethyloxan-2-yl]oxyoxan-2-yl]oxy-3,5,6-trimethyloxane;(3S,4R,6S)-2-ethyl-3-[(2S,4R,5R)-6-ethyl-5-[(2R,4S,5S)-6-ethyl-4-methoxy-3,5-dimethyloxan-2-yl]oxy-3,4-dimethyloxan-2-yl]oxy-4,5-dimethyl-6-propan-2-yloxane has a molecular weight of 995.52 g/mol, XLogP of 12.98, 15 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for (3S,4R,6S)-2-ethyl-4-[(2S,4S,5R)-6-ethyl-4,5-dimethyl-3-[(2S,4S,5S)-3,4,5,6-tetramethyloxan-2-yl]oxyoxan-2-yl]oxy-3,5,6-trimethyloxane;(3S,4R,6S)-2-ethyl-3-[(2S,4R,5R)-6-ethyl-5-[(2R,4S,5S)-6-ethyl-4-methoxy-3,5-dimethyloxan-2-yl]oxy-3,4-dimethyloxan-2-yl]oxy-4,5-dimethyl-6-propan-2-yloxane is sourced from PubChem (CID 158856498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).