(6R,8S,8aS)-6-[(3S,4R,6S)-2-ethyl-6-[(3S,4R,6R)-2-ethyl-4,5-dimethyl-6-phenylmethoxyoxan-3-yl]oxy-4,5-dimethyloxan-3-yl]oxy-8-methyl-2-phenyl-7-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine

C46H62O9 — CID 118423905

About (6R,8S,8aS)-6-[(3S,4R,6S)-2-ethyl-6-[(3S,4R,6R)-2-ethyl-4,5-dimethyl-6-phenylmethoxyoxan-3-yl]oxy-4,5-dimethyloxan-3-yl]oxy-8-methyl-2-phenyl-7-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine

(6R,8S,8aS)-6-[(3S,4R,6S)-2-ethyl-6-[(3S,4R,6R)-2-ethyl-4,5-dimethyl-6-phenylmethoxyoxan-3-yl]oxy-4,5-dimethyloxan-3-yl]oxy-8-methyl-2-phenyl-7-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine (PubChem CID 118423905) has the molecular formula C46H62O9 and a molecular weight of 758.99 g/mol. Its IUPAC name is (6R,8S,8aS)-6-[(3S,4R,6S)-2-ethyl-6-[(3S,4R,6R)-2-ethyl-4,5-dimethyl-6-phenylmethoxyoxan-3-yl]oxy-4,5-dimethyloxan-3-yl]oxy-8-methyl-2-phenyl-7-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine.

Molecular Properties

• Compound Name: (6R,8S,8aS)-6-[(3S,4R,6S)-2-ethyl-6-[(3S,4R,6R)-2-ethyl-4,5-dimethyl-6-phenylmethoxyoxan-3-yl]oxy-4,5-dimethyloxan-3-yl]oxy-8-methyl-2-phenyl-7-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine
• PubChem CID: 118423905
• Molecular Formula: C46H62O9
• Molecular Weight: 758.99 g/mol
• Exact Mass: 758.44
• IUPAC Name: (6R,8S,8aS)-6-[(3S,4R,6S)-2-ethyl-6-[(3S,4R,6R)-2-ethyl-4,5-dimethyl-6-phenylmethoxyoxan-3-yl]oxy-4,5-dimethyloxan-3-yl]oxy-8-methyl-2-phenyl-7-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine
• SMILES: CCC1O[C@@H](OCc2ccccc2)C(C)[C@@H](C)[C@@H]1O[C@@H]1OC(CC)[C@@H](O[C@@H]2OC3COC(c4ccccc4)O[C@H]3[C@H](C)C2OCc2ccccc2)[C@H](C)C1C
• InChI: InChI=1S/C46H62O9/c1-8-36-39(28(3)30(5)43(50-36)48-26-34-21-15-11-16-22-34)53-44-31(6)29(4)40(37(9-2)51-44)55-46-42(47-25-33-19-13-10-14-20-33)32(7)41-38(52-46)27-49-45(54-41)35-23-17-12-18-24-35/h10-24,28-32,36-46H,8-9,25-27H2,1-7H3/t28-,29-,30?,31?,32+,36?,37?,38?,39+,40+,41+,42?,43-,44+,45?,46+/m1/s1
• InChIKey: LYTWYOHKBBNVPC-OMZVPOJXSA-N
• XLogP: 8.85
• TPSA: 83.07 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 13
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	758.99
LogP ≤ 5	8.85
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of (6R,8S,8aS)-6-[(3S,4R,6S)-2-ethyl-6-[(3S,4R,6R)-2-ethyl-4,5-dimethyl-6-phenylmethoxyoxan-3-yl]oxy-4,5-dimethyloxan-3-yl]oxy-8-methyl-2-phenyl-7-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine?

The IUPAC name of (6R,8S,8aS)-6-[(3S,4R,6S)-2-ethyl-6-[(3S,4R,6R)-2-ethyl-4,5-dimethyl-6-phenylmethoxyoxan-3-yl]oxy-4,5-dimethyloxan-3-yl]oxy-8-methyl-2-phenyl-7-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine (CID 118423905) is (6R,8S,8aS)-6-[(3S,4R,6S)-2-ethyl-6-[(3S,4R,6R)-2-ethyl-4,5-dimethyl-6-phenylmethoxyoxan-3-yl]oxy-4,5-dimethyloxan-3-yl]oxy-8-methyl-2-phenyl-7-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine.

What is the SMILES notation for (6R,8S,8aS)-6-[(3S,4R,6S)-2-ethyl-6-[(3S,4R,6R)-2-ethyl-4,5-dimethyl-6-phenylmethoxyoxan-3-yl]oxy-4,5-dimethyloxan-3-yl]oxy-8-methyl-2-phenyl-7-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine?

The canonical SMILES for (6R,8S,8aS)-6-[(3S,4R,6S)-2-ethyl-6-[(3S,4R,6R)-2-ethyl-4,5-dimethyl-6-phenylmethoxyoxan-3-yl]oxy-4,5-dimethyloxan-3-yl]oxy-8-methyl-2-phenyl-7-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine is CCC1O[C@@H](OCc2ccccc2)C(C)[C@@H](C)[C@@H]1O[C@@H]1OC(CC)[C@@H](O[C@@H]2OC3COC(c4ccccc4)O[C@H]3[C@H](C)C2OCc2ccccc2)[C@H](C)C1C.

What is the InChIKey of (6R,8S,8aS)-6-[(3S,4R,6S)-2-ethyl-6-[(3S,4R,6R)-2-ethyl-4,5-dimethyl-6-phenylmethoxyoxan-3-yl]oxy-4,5-dimethyloxan-3-yl]oxy-8-methyl-2-phenyl-7-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine?

The InChIKey is LYTWYOHKBBNVPC-OMZVPOJXSA-N. The full InChI is InChI=1S/C46H62O9/c1-8-36-39(28(3)30(5)43(50-36)48-26-34-21-15-11-16-22-34)53-44-31(6)29(4)40(37(9-2)51-44)55-46-42(47-25-33-19-13-10-14-20-33)32(7)41-38(52-46)27-49-45(54-41)35-23-17-12-18-24-35/h10-24,28-32,36-46H,8-9,25-27H2,1-7H3/t28-,29-,30?,31?,32+,36?,37?,38?,39+,40+,41+,42?,43-,44+,45?,46+/m1/s1.

What are the key properties of (6R,8S,8aS)-6-[(3S,4R,6S)-2-ethyl-6-[(3S,4R,6R)-2-ethyl-4,5-dimethyl-6-phenylmethoxyoxan-3-yl]oxy-4,5-dimethyloxan-3-yl]oxy-8-methyl-2-phenyl-7-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine?

(6R,8S,8aS)-6-[(3S,4R,6S)-2-ethyl-6-[(3S,4R,6R)-2-ethyl-4,5-dimethyl-6-phenylmethoxyoxan-3-yl]oxy-4,5-dimethyloxan-3-yl]oxy-8-methyl-2-phenyl-7-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine has a molecular weight of 758.99 g/mol, XLogP of 8.85, 13 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (6R,8S,8aS)-6-[(3S,4R,6S)-2-ethyl-6-[(3S,4R,6R)-2-ethyl-4,5-dimethyl-6-phenylmethoxyoxan-3-yl]oxy-4,5-dimethyloxan-3-yl]oxy-8-methyl-2-phenyl-7-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine is sourced from PubChem (CID 118423905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).