(4R,5R,6S)-4-[(4R)-1,3-dioxolan-4-yl]-6-ethyl-5-[(2S,3R,4S,5S,6R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-2-phenyl-1,3-dioxane

C25H38O6 — CID 58265399

IUPAC(4R,5R,6S)-4-[(4R)-1,3-dioxolan-4-yl]-6-ethyl-5-[(2S,3R,4S,5S,6R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-2-phenyl-1,3-dioxane
SMILESCC[C@@H]1OC(c2ccccc2)O[C@H]([C@H]2COCO2)[C@@H]1O[C@@H]1O[C@H](CC)[C@@H](C)[C@H](C)[C@H]1C
InChIInChI=1S/C25H38O6/c1-6-19-16(4)15(3)17(5)24(28-19)30-22-20(7-2)29-25(18-11-9-8-10-12-18)31-23(22)21-13-26-14-27-21/h8-12,15-17,19-25H,6-7,13-14H2,1-5H3/t15-,16-,17+,19+,20-,21+,22+,23+,24-,25?/m0/s1
InChIKeyCNOUPDWMTOIORC-CLOXTIBFSA-N
MW434.57 g/mol
LogP4.68
Rot. Bonds6

About (4R,5R,6S)-4-[(4R)-1,3-dioxolan-4-yl]-6-ethyl-5-[(2S,3R,4S,5S,6R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-2-phenyl-1,3-dioxane

(4R,5R,6S)-4-[(4R)-1,3-dioxolan-4-yl]-6-ethyl-5-[(2S,3R,4S,5S,6R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-2-phenyl-1,3-dioxane (PubChem CID 58265399) has the molecular formula C25H38O6 and a molecular weight of 434.57 g/mol. Its IUPAC name is (4R,5R,6S)-4-[(4R)-1,3-dioxolan-4-yl]-6-ethyl-5-[(2S,3R,4S,5S,6R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-2-phenyl-1,3-dioxane.

Molecular Properties

Compound Name(4R,5R,6S)-4-[(4R)-1,3-dioxolan-4-yl]-6-ethyl-5-[(2S,3R,4S,5S,6R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-2-phenyl-1,3-dioxane
PubChem CID58265399
Molecular FormulaC25H38O6
Molecular Weight434.57 g/mol
Exact Mass434.27
IUPAC Name(4R,5R,6S)-4-[(4R)-1,3-dioxolan-4-yl]-6-ethyl-5-[(2S,3R,4S,5S,6R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-2-phenyl-1,3-dioxane
SMILESCC[C@@H]1OC(c2ccccc2)O[C@H]([C@H]2COCO2)[C@@H]1O[C@@H]1O[C@H](CC)[C@@H](C)[C@H](C)[C@H]1C
InChIInChI=1S/C25H38O6/c1-6-19-16(4)15(3)17(5)24(28-19)30-22-20(7-2)29-25(18-11-9-8-10-12-18)31-23(22)21-13-26-14-27-21/h8-12,15-17,19-25H,6-7,13-14H2,1-5H3/t15-,16-,17+,19+,20-,21+,22+,23+,24-,25?/m0/s1
InChIKeyCNOUPDWMTOIORC-CLOXTIBFSA-N
XLogP4.68
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.57
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (4R,5R,6S)-4-[(4R)-1,3-dioxolan-4-yl]-6-ethyl-5-[(2S,3R,4S,5S,6R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-2-phenyl-1,3-dioxane with MolForge

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Launch Full Analysis

Related Compounds

(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
(2S,6S)-4-ethyl-2,6-diphenyl-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxine
CID 134171336
(2R,4S,5R)-4-[(2S,4S,5R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxyoxane-2,3,5-triol
CID 126492470
2-ethyl-3-[6-ethyl-5-(6-ethyl-3,4,5-trimethyloxan-2-yl)oxy-3,4-dimethyloxan-2-yl]oxy-4,5,6-trimethyloxane
CID 22974905
(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
7-methyl-2-phenyl-8-phenylmethoxy-6-[(2-phenyl-8-phenylmethoxy-6-phenylsulfanyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl)oxy]-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine
CID 21054089
(6S,8S,8aS)-6-[[(6R,8R,8aR)-2-phenyl-8-phenylmethoxy-6-phenylsulfanyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]oxy]-7-methyl-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine
CID 91524066
(8S,8aS)-7-methyl-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine
CID 173382281
N-[(4S,5R)-6-ethyl-3-[(2S,4S,5S)-6-ethyl-4-[(2S,4S,5S)-6-ethyl-4-[(2S,4S,5S)-6-ethyl-4-[(2S,4S,5R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-3,5-dimethyloxan-2-yl]oxy-3,5-dimethyloxan-2-yl]oxy-3,5-dimethyloxan-2-yl]oxy-4,5-dimethyloxan-2-yl]-2-phenoxyacetamide
CID 58939985
(6S,8R,8aS)-7,8-dimethyl-2-phenyl-6-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine
CID 70822984
O-[(4aR,6S,7R,8S,8aS)-6-methoxy-7-methylsulfanylcarbothioyloxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl] methylsulfanylmethanethioate
CID 177460746
(3R,4S,6R)-2-ethyl-4-[(2R,4S,5S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-6-[(4S,5S)-6-ethyl-2,4,5-trimethyloxan-3-yl]oxy-3,5-dimethyloxane
CID 158555305

Frequently Asked Questions

What is the IUPAC name of (4R,5R,6S)-4-[(4R)-1,3-dioxolan-4-yl]-6-ethyl-5-[(2S,3R,4S,5S,6R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-2-phenyl-1,3-dioxane?
The IUPAC name of (4R,5R,6S)-4-[(4R)-1,3-dioxolan-4-yl]-6-ethyl-5-[(2S,3R,4S,5S,6R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-2-phenyl-1,3-dioxane (CID 58265399) is (4R,5R,6S)-4-[(4R)-1,3-dioxolan-4-yl]-6-ethyl-5-[(2S,3R,4S,5S,6R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-2-phenyl-1,3-dioxane.
What is the SMILES notation for (4R,5R,6S)-4-[(4R)-1,3-dioxolan-4-yl]-6-ethyl-5-[(2S,3R,4S,5S,6R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-2-phenyl-1,3-dioxane?
The canonical SMILES for (4R,5R,6S)-4-[(4R)-1,3-dioxolan-4-yl]-6-ethyl-5-[(2S,3R,4S,5S,6R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-2-phenyl-1,3-dioxane is CC[C@@H]1OC(c2ccccc2)O[C@H]([C@H]2COCO2)[C@@H]1O[C@@H]1O[C@H](CC)[C@@H](C)[C@H](C)[C@H]1C.
What is the InChIKey of (4R,5R,6S)-4-[(4R)-1,3-dioxolan-4-yl]-6-ethyl-5-[(2S,3R,4S,5S,6R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-2-phenyl-1,3-dioxane?
The InChIKey is CNOUPDWMTOIORC-CLOXTIBFSA-N. The full InChI is InChI=1S/C25H38O6/c1-6-19-16(4)15(3)17(5)24(28-19)30-22-20(7-2)29-25(18-11-9-8-10-12-18)31-23(22)21-13-26-14-27-21/h8-12,15-17,19-25H,6-7,13-14H2,1-5H3/t15-,16-,17+,19+,20-,21+,22+,23+,24-,25?/m0/s1.
What are the key properties of (4R,5R,6S)-4-[(4R)-1,3-dioxolan-4-yl]-6-ethyl-5-[(2S,3R,4S,5S,6R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-2-phenyl-1,3-dioxane?
(4R,5R,6S)-4-[(4R)-1,3-dioxolan-4-yl]-6-ethyl-5-[(2S,3R,4S,5S,6R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-2-phenyl-1,3-dioxane has a molecular weight of 434.57 g/mol, XLogP of 4.68, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R,6S)-4-[(4R)-1,3-dioxolan-4-yl]-6-ethyl-5-[(2S,3R,4S,5S,6R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-2-phenyl-1,3-dioxane is sourced from PubChem (CID 58265399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).