(3aR,6S,7S,7aR)-2-methoxy-6-[(4-methoxyphenyl)methoxy]-2-methyl-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran-7-ol

C16H22O7 — CID 24767585

IUPAC(3aR,6S,7S,7aR)-2-methoxy-6-[(4-methoxyphenyl)methoxy]-2-methyl-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran-7-ol
SMILESCOc1ccc(CO[C@H]2CO[C@@H]3OC(C)(OC)O[C@@H]3[C@H]2O)cc1
InChIInChI=1S/C16H22O7/c1-16(19-3)22-14-13(17)12(9-21-15(14)23-16)20-8-10-4-6-11(18-2)7-5-10/h4-7,12-15,17H,8-9H2,1-3H3/t12-,13-,14+,15+,16?/m0/s1
InChIKeyJZLMMHVOOTVNRZ-FIZKIRAISA-N
MW326.35 g/mol
LogP1.03
Rot. Bonds5

About (3aR,6S,7S,7aR)-2-methoxy-6-[(4-methoxyphenyl)methoxy]-2-methyl-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran-7-ol

(3aR,6S,7S,7aR)-2-methoxy-6-[(4-methoxyphenyl)methoxy]-2-methyl-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran-7-ol (PubChem CID 24767585) has the molecular formula C16H22O7 and a molecular weight of 326.35 g/mol. Its IUPAC name is (3aR,6S,7S,7aR)-2-methoxy-6-[(4-methoxyphenyl)methoxy]-2-methyl-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran-7-ol.

Molecular Properties

Compound Name(3aR,6S,7S,7aR)-2-methoxy-6-[(4-methoxyphenyl)methoxy]-2-methyl-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran-7-ol
PubChem CID24767585
Molecular FormulaC16H22O7
Molecular Weight326.35 g/mol
Exact Mass326.14
IUPAC Name(3aR,6S,7S,7aR)-2-methoxy-6-[(4-methoxyphenyl)methoxy]-2-methyl-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran-7-ol
SMILESCOc1ccc(CO[C@H]2CO[C@@H]3OC(C)(OC)O[C@@H]3[C@H]2O)cc1
InChIInChI=1S/C16H22O7/c1-16(19-3)22-14-13(17)12(9-21-15(14)23-16)20-8-10-4-6-11(18-2)7-5-10/h4-7,12-15,17H,8-9H2,1-3H3/t12-,13-,14+,15+,16?/m0/s1
InChIKeyJZLMMHVOOTVNRZ-FIZKIRAISA-N
XLogP1.03
TPSA75.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (3aR,6S,7S,7aR)-2-methoxy-6-[(4-methoxyphenyl)methoxy]-2-methyl-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran-7-ol with MolForge

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Related Compounds

(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
(1S,2R,6R,8R,9R)-9-[(4-methoxyphenyl)methoxy]-4,4-dimethyl-3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecane
CID 102341059
(2S,3S,5S)-3-methoxy-4-[(4-methoxyphenyl)methoxy]-6,8-dioxabicyclo[3.2.1]octan-2-ol
CID 59011054
(1S,2R,4S,5S)-6-[(4-methoxyphenyl)methoxy]cyclohexane-1,2,3,4,5-pentol
CID 91096427
(2S,4R,5R)-2-(4-methoxyphenyl)-5-phenylmethoxyoxan-4-ol
CID 10663083
8,9-bis[(4-methoxyphenyl)methoxy]-2,4,10-trioxatricyclo[3.3.1.13,7]decan-6-ol
CID 11842161
(3aR,6S,6aR)-2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole
CID 14163116
[(2R,5R)-5-(hydroxymethyl)-3-[(4-methoxyphenyl)methoxy]-5-methyloxolan-2-yl]methanol
CID 53465513
trans-(1R,2R)-2-[(4-methoxyphenyl)methoxy]cycloheptan-1-ol
CID 16720719
(2S,3S,4S,5R)-2-(2-hydroxyethoxy)-5-[(4-methoxyphenyl)methoxy]-3-phenylselanyloxan-4-ol
CID 134874698
(2S,3aS,5R,6S,7R,7aR)-6,7-bis[(4-chlorophenyl)methoxy]-5-[(4-chlorophenyl)methoxymethyl]-2-methoxy-2-methyl-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran
CID 124746957
(3aR,4R,5S,7aR)-6-iodo-4-[(4-methoxyphenyl)methoxy]-2,2,3a-trimethyl-5,7a-dihydro-4H-1,3-benzodioxol-5-ol
CID 72697968

Frequently Asked Questions

What is the IUPAC name of (3aR,6S,7S,7aR)-2-methoxy-6-[(4-methoxyphenyl)methoxy]-2-methyl-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran-7-ol?
The IUPAC name of (3aR,6S,7S,7aR)-2-methoxy-6-[(4-methoxyphenyl)methoxy]-2-methyl-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran-7-ol (CID 24767585) is (3aR,6S,7S,7aR)-2-methoxy-6-[(4-methoxyphenyl)methoxy]-2-methyl-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran-7-ol.
What is the SMILES notation for (3aR,6S,7S,7aR)-2-methoxy-6-[(4-methoxyphenyl)methoxy]-2-methyl-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran-7-ol?
The canonical SMILES for (3aR,6S,7S,7aR)-2-methoxy-6-[(4-methoxyphenyl)methoxy]-2-methyl-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran-7-ol is COc1ccc(CO[C@H]2CO[C@@H]3OC(C)(OC)O[C@@H]3[C@H]2O)cc1.
What is the InChIKey of (3aR,6S,7S,7aR)-2-methoxy-6-[(4-methoxyphenyl)methoxy]-2-methyl-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran-7-ol?
The InChIKey is JZLMMHVOOTVNRZ-FIZKIRAISA-N. The full InChI is InChI=1S/C16H22O7/c1-16(19-3)22-14-13(17)12(9-21-15(14)23-16)20-8-10-4-6-11(18-2)7-5-10/h4-7,12-15,17H,8-9H2,1-3H3/t12-,13-,14+,15+,16?/m0/s1.
What are the key properties of (3aR,6S,7S,7aR)-2-methoxy-6-[(4-methoxyphenyl)methoxy]-2-methyl-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran-7-ol?
(3aR,6S,7S,7aR)-2-methoxy-6-[(4-methoxyphenyl)methoxy]-2-methyl-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran-7-ol has a molecular weight of 326.35 g/mol, XLogP of 1.03, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6S,7S,7aR)-2-methoxy-6-[(4-methoxyphenyl)methoxy]-2-methyl-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran-7-ol is sourced from PubChem (CID 24767585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).