(4S,5S,6R)-5-[(4-methoxyphenyl)methoxy]-4-[(2R)-4-[(4-methoxyphenyl)methoxy]butan-2-yl]-2,2-dimethyl-6-[(2S,3S)-3-[(2S)-oxiran-2-yl]butan-2-yl]-1,3-dioxane

C32H46O7 — CID 10886064

IUPAC(4S,5S,6R)-5-[(4-methoxyphenyl)methoxy]-4-[(2R)-4-[(4-methoxyphenyl)methoxy]butan-2-yl]-2,2-dimethyl-6-[(2S,3S)-3-[(2S)-oxiran-2-yl]butan-2-yl]-1,3-dioxane
SMILESCOc1ccc(COCC[C@@H](C)[C@@H]2OC(C)(C)O[C@H]([C@@H](C)[C@H](C)[C@H]3CO3)[C@H]2OCc2ccc(OC)cc2)cc1
InChIInChI=1S/C32H46O7/c1-21(16-17-35-18-24-8-12-26(33-6)13-9-24)29-31(37-19-25-10-14-27(34-7)15-11-25)30(39-32(4,5)38-29)23(3)22(2)28-20-36-28/h8-15,21-23,28-31H,16-20H2,1-7H3/t21-,22+,23+,28-,29+,30-,31+/m1/s1
InChIKeyZMOUVNLWOQIBKO-BFNQHAGGSA-N
MW542.71 g/mol
LogP6.02
Rot. Bonds14

About (4S,5S,6R)-5-[(4-methoxyphenyl)methoxy]-4-[(2R)-4-[(4-methoxyphenyl)methoxy]butan-2-yl]-2,2-dimethyl-6-[(2S,3S)-3-[(2S)-oxiran-2-yl]butan-2-yl]-1,3-dioxane

(4S,5S,6R)-5-[(4-methoxyphenyl)methoxy]-4-[(2R)-4-[(4-methoxyphenyl)methoxy]butan-2-yl]-2,2-dimethyl-6-[(2S,3S)-3-[(2S)-oxiran-2-yl]butan-2-yl]-1,3-dioxane (PubChem CID 10886064) has the molecular formula C32H46O7 and a molecular weight of 542.71 g/mol. Its IUPAC name is (4S,5S,6R)-5-[(4-methoxyphenyl)methoxy]-4-[(2R)-4-[(4-methoxyphenyl)methoxy]butan-2-yl]-2,2-dimethyl-6-[(2S,3S)-3-[(2S)-oxiran-2-yl]butan-2-yl]-1,3-dioxane.

Molecular Properties

Compound Name(4S,5S,6R)-5-[(4-methoxyphenyl)methoxy]-4-[(2R)-4-[(4-methoxyphenyl)methoxy]butan-2-yl]-2,2-dimethyl-6-[(2S,3S)-3-[(2S)-oxiran-2-yl]butan-2-yl]-1,3-dioxane
PubChem CID10886064
Molecular FormulaC32H46O7
Molecular Weight542.71 g/mol
Exact Mass542.32
IUPAC Name(4S,5S,6R)-5-[(4-methoxyphenyl)methoxy]-4-[(2R)-4-[(4-methoxyphenyl)methoxy]butan-2-yl]-2,2-dimethyl-6-[(2S,3S)-3-[(2S)-oxiran-2-yl]butan-2-yl]-1,3-dioxane
SMILESCOc1ccc(COCC[C@@H](C)[C@@H]2OC(C)(C)O[C@H]([C@@H](C)[C@H](C)[C@H]3CO3)[C@H]2OCc2ccc(OC)cc2)cc1
InChIInChI=1S/C32H46O7/c1-21(16-17-35-18-24-8-12-26(33-6)13-9-24)29-31(37-19-25-10-14-27(34-7)15-11-25)30(39-32(4,5)38-29)23(3)22(2)28-20-36-28/h8-15,21-23,28-31H,16-20H2,1-7H3/t21-,22+,23+,28-,29+,30-,31+/m1/s1
InChIKeyZMOUVNLWOQIBKO-BFNQHAGGSA-N
XLogP6.02
TPSA67.91 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500542.71
LogP ≤ 56.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze (4S,5S,6R)-5-[(4-methoxyphenyl)methoxy]-4-[(2R)-4-[(4-methoxyphenyl)methoxy]butan-2-yl]-2,2-dimethyl-6-[(2S,3S)-3-[(2S)-oxiran-2-yl]butan-2-yl]-1,3-dioxane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4R,5S,6S)-6-[(4R,5S,6S)-5-[(4-methoxyphenyl)methoxy]-6-[(2R)-4-[(4-methoxyphenyl)methoxy]butan-2-yl]-2,2-dimethyl-1,3-dioxan-4-yl]-5-methylhept-1-en-4-ol
CID 102094772
(1R,3S,7R,9R)-8-[(4-methoxyphenyl)methoxy]-5,5,11,11-tetramethyl-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecan-2-ol
CID 11646597
(2R,3S)-3-[2-[(4-methoxyphenyl)methoxy]ethyl]-2-methyl-2-[[(2R)-oxiran-2-yl]methyl]oxirane
CID 71606164
(2R)-2-[(1S)-1-[(4-methoxyphenyl)methoxy]-5-phenylmethoxypentyl]oxirane
CID 24900146
(4R)-4-[2-[(4-methoxyphenyl)methoxy]ethyl]-2,2-dimethyl-1,3-dioxolane
CID 11097485
2-[[(3aS,4R,6R,7R,7aS)-7-[(4-methoxyphenyl)methoxy]-4-[(4-methoxyphenyl)methoxymethyl]-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-yl]oxy]ethyl-trimethylsilane
CID 25223673
(3aR,5R,6S,6aR)-5-[(1R)-1,2-bis[(4-methoxyphenyl)methoxy]ethyl]-6-[(4-methoxyphenyl)methoxy]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole
CID 100990462
(4S,5S)-4-[(Z,2S,5S)-6-[(4-methoxyphenyl)methoxy]-5-methylhex-3-en-2-yl]-5-[(2S)-1-[(4-methoxyphenyl)methoxy]propan-2-yl]-2,2-dimethyl-1,3-dioxolane
CID 10874918
(4R)-2,2-dimethyl-4-[(2S)-4-phenylmethoxybutan-2-yl]-1,3-dioxolane
CID 71534406
(3aS,4S,5S,6S,7S,7aR)-5,6-bis[(4-methoxyphenyl)methoxy]-2,2-dimethyl-4,7-bis(prop-2-enoxy)-3a,4,5,6,7,7a-hexahydro-1,3-benzodioxole
CID 10602538
(2S)-2-[(4S,5S,6R)-6-[(2S)-1-[(4-methoxyphenyl)methoxy]propan-2-yl]-2,2,5-trimethyl-1,3-dioxan-4-yl]pentan-3-ol
CID 11315402
(1S,4R)-4-(methoxymethoxy)-1-[(4S,5S)-5-[(1S)-1-(methoxymethoxy)ethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-6-[(4-methoxyphenyl)methoxy]hex-2-yn-1-ol
CID 53349248

Frequently Asked Questions

What is the IUPAC name of (4S,5S,6R)-5-[(4-methoxyphenyl)methoxy]-4-[(2R)-4-[(4-methoxyphenyl)methoxy]butan-2-yl]-2,2-dimethyl-6-[(2S,3S)-3-[(2S)-oxiran-2-yl]butan-2-yl]-1,3-dioxane?
The IUPAC name of (4S,5S,6R)-5-[(4-methoxyphenyl)methoxy]-4-[(2R)-4-[(4-methoxyphenyl)methoxy]butan-2-yl]-2,2-dimethyl-6-[(2S,3S)-3-[(2S)-oxiran-2-yl]butan-2-yl]-1,3-dioxane (CID 10886064) is (4S,5S,6R)-5-[(4-methoxyphenyl)methoxy]-4-[(2R)-4-[(4-methoxyphenyl)methoxy]butan-2-yl]-2,2-dimethyl-6-[(2S,3S)-3-[(2S)-oxiran-2-yl]butan-2-yl]-1,3-dioxane.
What is the SMILES notation for (4S,5S,6R)-5-[(4-methoxyphenyl)methoxy]-4-[(2R)-4-[(4-methoxyphenyl)methoxy]butan-2-yl]-2,2-dimethyl-6-[(2S,3S)-3-[(2S)-oxiran-2-yl]butan-2-yl]-1,3-dioxane?
The canonical SMILES for (4S,5S,6R)-5-[(4-methoxyphenyl)methoxy]-4-[(2R)-4-[(4-methoxyphenyl)methoxy]butan-2-yl]-2,2-dimethyl-6-[(2S,3S)-3-[(2S)-oxiran-2-yl]butan-2-yl]-1,3-dioxane is COc1ccc(COCC[C@@H](C)[C@@H]2OC(C)(C)O[C@H]([C@@H](C)[C@H](C)[C@H]3CO3)[C@H]2OCc2ccc(OC)cc2)cc1.
What is the InChIKey of (4S,5S,6R)-5-[(4-methoxyphenyl)methoxy]-4-[(2R)-4-[(4-methoxyphenyl)methoxy]butan-2-yl]-2,2-dimethyl-6-[(2S,3S)-3-[(2S)-oxiran-2-yl]butan-2-yl]-1,3-dioxane?
The InChIKey is ZMOUVNLWOQIBKO-BFNQHAGGSA-N. The full InChI is InChI=1S/C32H46O7/c1-21(16-17-35-18-24-8-12-26(33-6)13-9-24)29-31(37-19-25-10-14-27(34-7)15-11-25)30(39-32(4,5)38-29)23(3)22(2)28-20-36-28/h8-15,21-23,28-31H,16-20H2,1-7H3/t21-,22+,23+,28-,29+,30-,31+/m1/s1.
What are the key properties of (4S,5S,6R)-5-[(4-methoxyphenyl)methoxy]-4-[(2R)-4-[(4-methoxyphenyl)methoxy]butan-2-yl]-2,2-dimethyl-6-[(2S,3S)-3-[(2S)-oxiran-2-yl]butan-2-yl]-1,3-dioxane?
(4S,5S,6R)-5-[(4-methoxyphenyl)methoxy]-4-[(2R)-4-[(4-methoxyphenyl)methoxy]butan-2-yl]-2,2-dimethyl-6-[(2S,3S)-3-[(2S)-oxiran-2-yl]butan-2-yl]-1,3-dioxane has a molecular weight of 542.71 g/mol, XLogP of 6.02, 14 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S,6R)-5-[(4-methoxyphenyl)methoxy]-4-[(2R)-4-[(4-methoxyphenyl)methoxy]butan-2-yl]-2,2-dimethyl-6-[(2S,3S)-3-[(2S)-oxiran-2-yl]butan-2-yl]-1,3-dioxane is sourced from PubChem (CID 10886064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).