(4S,5R,6R)-2,2,5-trimethyl-4-[(4S,5S)-2,2,5-trimethyl-1,3-dioxan-4-yl]-6-[(4R,5R,6S)-2,2,5-trimethyl-6-[(4S,5S)-2,2,5-trimethyl-1,3-dioxan-4-yl]-1,3-dioxan-4-yl]-1,3-dioxane

C28H50O8 — CID 10885760

IUPAC(4S,5R,6R)-2,2,5-trimethyl-4-[(4S,5S)-2,2,5-trimethyl-1,3-dioxan-4-yl]-6-[(4R,5R,6S)-2,2,5-trimethyl-6-[(4S,5S)-2,2,5-trimethyl-1,3-dioxan-4-yl]-1,3-dioxan-4-yl]-1,3-dioxane
SMILESC[C@H]1[C@H]([C@@H]2OC(C)(C)O[C@H]([C@H]3OC(C)(C)OC[C@@H]3C)[C@H]2C)OC(C)(C)O[C@@H]1[C@H]1OC(C)(C)OC[C@@H]1C
InChIInChI=1S/C28H50O8/c1-15-13-29-25(5,6)31-19(15)21-17(3)23(35-27(9,10)33-21)24-18(4)22(34-28(11,12)36-24)20-16(2)14-30-26(7,8)32-20/h15-24H,13-14H2,1-12H3/t15-,16-,17+,18+,19-,20-,21-,22-,23+,24+/m0/s1
InChIKeyPNBIHPYOJZENPE-GGOHSMNASA-N
MW514.70 g/mol
LogP4.87
Rot. Bonds3

About (4S,5R,6R)-2,2,5-trimethyl-4-[(4S,5S)-2,2,5-trimethyl-1,3-dioxan-4-yl]-6-[(4R,5R,6S)-2,2,5-trimethyl-6-[(4S,5S)-2,2,5-trimethyl-1,3-dioxan-4-yl]-1,3-dioxan-4-yl]-1,3-dioxane

(4S,5R,6R)-2,2,5-trimethyl-4-[(4S,5S)-2,2,5-trimethyl-1,3-dioxan-4-yl]-6-[(4R,5R,6S)-2,2,5-trimethyl-6-[(4S,5S)-2,2,5-trimethyl-1,3-dioxan-4-yl]-1,3-dioxan-4-yl]-1,3-dioxane (PubChem CID 10885760) has the molecular formula C28H50O8 and a molecular weight of 514.70 g/mol. Its IUPAC name is (4S,5R,6R)-2,2,5-trimethyl-4-[(4S,5S)-2,2,5-trimethyl-1,3-dioxan-4-yl]-6-[(4R,5R,6S)-2,2,5-trimethyl-6-[(4S,5S)-2,2,5-trimethyl-1,3-dioxan-4-yl]-1,3-dioxan-4-yl]-1,3-dioxane.

Molecular Properties

Compound Name(4S,5R,6R)-2,2,5-trimethyl-4-[(4S,5S)-2,2,5-trimethyl-1,3-dioxan-4-yl]-6-[(4R,5R,6S)-2,2,5-trimethyl-6-[(4S,5S)-2,2,5-trimethyl-1,3-dioxan-4-yl]-1,3-dioxan-4-yl]-1,3-dioxane
PubChem CID10885760
Molecular FormulaC28H50O8
Molecular Weight514.70 g/mol
Exact Mass514.35
IUPAC Name(4S,5R,6R)-2,2,5-trimethyl-4-[(4S,5S)-2,2,5-trimethyl-1,3-dioxan-4-yl]-6-[(4R,5R,6S)-2,2,5-trimethyl-6-[(4S,5S)-2,2,5-trimethyl-1,3-dioxan-4-yl]-1,3-dioxan-4-yl]-1,3-dioxane
SMILESC[C@H]1[C@H]([C@@H]2OC(C)(C)O[C@H]([C@H]3OC(C)(C)OC[C@@H]3C)[C@H]2C)OC(C)(C)O[C@@H]1[C@H]1OC(C)(C)OC[C@@H]1C
InChIInChI=1S/C28H50O8/c1-15-13-29-25(5,6)31-19(15)21-17(3)23(35-27(9,10)33-21)24-18(4)22(34-28(11,12)36-24)20-16(2)14-30-26(7,8)32-20/h15-24H,13-14H2,1-12H3/t15-,16-,17+,18+,19-,20-,21-,22-,23+,24+/m0/s1
InChIKeyPNBIHPYOJZENPE-GGOHSMNASA-N
XLogP4.87
TPSA73.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.70
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze (4S,5R,6R)-2,2,5-trimethyl-4-[(4S,5S)-2,2,5-trimethyl-1,3-dioxan-4-yl]-6-[(4R,5R,6S)-2,2,5-trimethyl-6-[(4S,5S)-2,2,5-trimethyl-1,3-dioxan-4-yl]-1,3-dioxan-4-yl]-1,3-dioxane with MolForge

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Launch Full Analysis

Related Compounds

(2S,3S,6R,11R)-3,11-dimethyl-2-(oxan-2-yloxymethyl)-1,7-dioxaspiro[5.5]undecane
CID 12041355
(2S,3S,4S,5R,6R)-6-(hydroxymethyl)-2-[(2R,3R,4S,5R)-4,5,6-trihydroxy-2-(hydroxymethyl)-4-[(3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxan-3-yl]oxy-3-[(3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxane-3,4,5-triol
CID 135331117
(1S,3S,4S)-1-methoxy-4,6,6-trimethylspiro[2,5-dioxabicyclo[2.2.2]octane-3,2'-oxane]
CID 9992584
(2S,5S)-2-[2-[(3S,6S)-6-[[(3S,6R)-3,5-dihydroxy-2-(hydroxymethyl)-6-methoxyoxan-4-yl]methyl]-3,5-dihydroxy-4-[[(2S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methyl]oxan-2-yl]ethyl]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 134866281
(2S,5S)-2-[2-[(3S,6R)-3,5-dihydroxy-6-methoxy-4-[[(2S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methyl]oxan-2-yl]ethyl]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 134866282
(4S,5R,6R)-4-[(2S)-3-methoxy-4-(2-methoxypropan-2-yloxy)butan-2-yl]-2,2,5-trimethyl-6-[(1R)-1-[(4S,5S)-2,2,5-trimethyl-1,3-dioxan-4-yl]ethyl]-1,3-dioxane
CID 134878393
(2R,3S,6S)-2,3,4,5-tetramethyl-6-[(2S,5R)-2,5,6-trimethyl-4-[(2S,5R)-3,5,6-trimethyl-4-[(2S,5S)-3,4,5,6-tetramethyloxan-2-yl]oxyoxan-2-yl]oxyoxan-3-yl]oxyoxane
CID 134973879
(3S,6S)-2,3,4,5-tetramethyl-6-[(3S,6R)-2,4,5-trimethyl-6-[(3R,6S)-2,3,5-trimethyl-6-[(3S,6S)-2,4,5-trimethyl-6-[(3R,6S)-2,3,5-trimethyl-6-[(3S,6S)-2,4,5,6-tetramethyloxan-3-yl]oxyoxan-4-yl]oxyoxan-3-yl]oxan-4-yl]oxyoxan-3-yl]oxyoxane
CID 134973881
(3S,6S)-2,3,4,5-tetramethyl-6-[(3S,6R)-2,4,5-trimethyl-6-[(3R,6S)-2,3,5-trimethyl-6-[(3S,6S)-2,4,5,6-tetramethyloxan-3-yl]oxyoxan-4-yl]oxyoxan-3-yl]oxyoxane
CID 134973882
(1S,6R,8S,17S,22S,39S,40R)-39,40-bis(methoxymethoxy)-8-(methoxymethoxymethyl)-7,16,23,32-tetraoxapentacyclo[28.2.2.26,9.214,17.222,25]tetraconta-2,4,10,12,18,20,26,28-octayne
CID 134976948
3,4,5-Trimethoxy-2-methyl-6-[3,5,7,8,9-pentamethoxy-1-(2-methoxy-1,3-dimethyl-butyl)-4,6-dimethyl-nonyloxy]-tetrahydro-pyran
CID 560228
(2S,3R,3'S,4S,4'S,4aR,5'R,6S,6'R,8aS)-2,3,3',4,4',5'-hexamethoxy-6'-(methoxymethyl)spiro[3,4,4a,5,8,8a-hexahydro-2H-pyrano[3,4-b]pyran-6,2'-oxane]
CID 49836680

Frequently Asked Questions

What is the IUPAC name of (4S,5R,6R)-2,2,5-trimethyl-4-[(4S,5S)-2,2,5-trimethyl-1,3-dioxan-4-yl]-6-[(4R,5R,6S)-2,2,5-trimethyl-6-[(4S,5S)-2,2,5-trimethyl-1,3-dioxan-4-yl]-1,3-dioxan-4-yl]-1,3-dioxane?
The IUPAC name of (4S,5R,6R)-2,2,5-trimethyl-4-[(4S,5S)-2,2,5-trimethyl-1,3-dioxan-4-yl]-6-[(4R,5R,6S)-2,2,5-trimethyl-6-[(4S,5S)-2,2,5-trimethyl-1,3-dioxan-4-yl]-1,3-dioxan-4-yl]-1,3-dioxane (CID 10885760) is (4S,5R,6R)-2,2,5-trimethyl-4-[(4S,5S)-2,2,5-trimethyl-1,3-dioxan-4-yl]-6-[(4R,5R,6S)-2,2,5-trimethyl-6-[(4S,5S)-2,2,5-trimethyl-1,3-dioxan-4-yl]-1,3-dioxan-4-yl]-1,3-dioxane.
What is the SMILES notation for (4S,5R,6R)-2,2,5-trimethyl-4-[(4S,5S)-2,2,5-trimethyl-1,3-dioxan-4-yl]-6-[(4R,5R,6S)-2,2,5-trimethyl-6-[(4S,5S)-2,2,5-trimethyl-1,3-dioxan-4-yl]-1,3-dioxan-4-yl]-1,3-dioxane?
The canonical SMILES for (4S,5R,6R)-2,2,5-trimethyl-4-[(4S,5S)-2,2,5-trimethyl-1,3-dioxan-4-yl]-6-[(4R,5R,6S)-2,2,5-trimethyl-6-[(4S,5S)-2,2,5-trimethyl-1,3-dioxan-4-yl]-1,3-dioxan-4-yl]-1,3-dioxane is C[C@H]1[C@H]([C@@H]2OC(C)(C)O[C@H]([C@H]3OC(C)(C)OC[C@@H]3C)[C@H]2C)OC(C)(C)O[C@@H]1[C@H]1OC(C)(C)OC[C@@H]1C.
What is the InChIKey of (4S,5R,6R)-2,2,5-trimethyl-4-[(4S,5S)-2,2,5-trimethyl-1,3-dioxan-4-yl]-6-[(4R,5R,6S)-2,2,5-trimethyl-6-[(4S,5S)-2,2,5-trimethyl-1,3-dioxan-4-yl]-1,3-dioxan-4-yl]-1,3-dioxane?
The InChIKey is PNBIHPYOJZENPE-GGOHSMNASA-N. The full InChI is InChI=1S/C28H50O8/c1-15-13-29-25(5,6)31-19(15)21-17(3)23(35-27(9,10)33-21)24-18(4)22(34-28(11,12)36-24)20-16(2)14-30-26(7,8)32-20/h15-24H,13-14H2,1-12H3/t15-,16-,17+,18+,19-,20-,21-,22-,23+,24+/m0/s1.
What are the key properties of (4S,5R,6R)-2,2,5-trimethyl-4-[(4S,5S)-2,2,5-trimethyl-1,3-dioxan-4-yl]-6-[(4R,5R,6S)-2,2,5-trimethyl-6-[(4S,5S)-2,2,5-trimethyl-1,3-dioxan-4-yl]-1,3-dioxan-4-yl]-1,3-dioxane?
(4S,5R,6R)-2,2,5-trimethyl-4-[(4S,5S)-2,2,5-trimethyl-1,3-dioxan-4-yl]-6-[(4R,5R,6S)-2,2,5-trimethyl-6-[(4S,5S)-2,2,5-trimethyl-1,3-dioxan-4-yl]-1,3-dioxan-4-yl]-1,3-dioxane has a molecular weight of 514.70 g/mol, XLogP of 4.87, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R,6R)-2,2,5-trimethyl-4-[(4S,5S)-2,2,5-trimethyl-1,3-dioxan-4-yl]-6-[(4R,5R,6S)-2,2,5-trimethyl-6-[(4S,5S)-2,2,5-trimethyl-1,3-dioxan-4-yl]-1,3-dioxan-4-yl]-1,3-dioxane is sourced from PubChem (CID 10885760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).