(4aR,6R,7R,8S,8aS)-6-[(2R)-2,3-bis[(4-methoxyphenyl)methoxy]propoxy]-2-phenyl-7,8-bis(phenylmethoxy)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine

C46H50O10 — CID 102034787

IUPAC(4aR,6R,7R,8S,8aS)-6-[(2R)-2,3-bis[(4-methoxyphenyl)methoxy]propoxy]-2-phenyl-7,8-bis(phenylmethoxy)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine
SMILESCOc1ccc(COC[C@H](CO[C@@H]2O[C@@H]3COC(c4ccccc4)O[C@@H]3[C@H](OCc3ccccc3)[C@H]2OCc2ccccc2)OCc2ccc(OC)cc2)cc1
InChIInChI=1S/C46H50O10/c1-47-38-22-18-35(19-23-38)26-49-30-40(50-27-36-20-24-39(48-2)25-21-36)31-53-46-44(52-29-34-14-8-4-9-15-34)43(51-28-33-12-6-3-7-13-33)42-41(55-46)32-54-45(56-42)37-16-10-5-11-17-37/h3-25,40-46H,26-32H2,1-2H3/t40-,41-,42+,43+,44-,45?,46-/m1/s1
InChIKeyWRTUGKXYYSQAJQ-KWPHGUAMSA-N
MW762.90 g/mol
LogP7.83
Rot. Bonds19

About (4aR,6R,7R,8S,8aS)-6-[(2R)-2,3-bis[(4-methoxyphenyl)methoxy]propoxy]-2-phenyl-7,8-bis(phenylmethoxy)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine

(4aR,6R,7R,8S,8aS)-6-[(2R)-2,3-bis[(4-methoxyphenyl)methoxy]propoxy]-2-phenyl-7,8-bis(phenylmethoxy)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine (PubChem CID 102034787) has the molecular formula C46H50O10 and a molecular weight of 762.90 g/mol. Its IUPAC name is (4aR,6R,7R,8S,8aS)-6-[(2R)-2,3-bis[(4-methoxyphenyl)methoxy]propoxy]-2-phenyl-7,8-bis(phenylmethoxy)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine.

Molecular Properties

Compound Name(4aR,6R,7R,8S,8aS)-6-[(2R)-2,3-bis[(4-methoxyphenyl)methoxy]propoxy]-2-phenyl-7,8-bis(phenylmethoxy)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine
PubChem CID102034787
Molecular FormulaC46H50O10
Molecular Weight762.90 g/mol
Exact Mass762.34
IUPAC Name(4aR,6R,7R,8S,8aS)-6-[(2R)-2,3-bis[(4-methoxyphenyl)methoxy]propoxy]-2-phenyl-7,8-bis(phenylmethoxy)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine
SMILESCOc1ccc(COC[C@H](CO[C@@H]2O[C@@H]3COC(c4ccccc4)O[C@@H]3[C@H](OCc3ccccc3)[C@H]2OCc2ccccc2)OCc2ccc(OC)cc2)cc1
InChIInChI=1S/C46H50O10/c1-47-38-22-18-35(19-23-38)26-49-30-40(50-27-36-20-24-39(48-2)25-21-36)31-53-46-44(52-29-34-14-8-4-9-15-34)43(51-28-33-12-6-3-7-13-33)42-41(55-46)32-54-45(56-42)37-16-10-5-11-17-37/h3-25,40-46H,26-32H2,1-2H3/t40-,41-,42+,43+,44-,45?,46-/m1/s1
InChIKeyWRTUGKXYYSQAJQ-KWPHGUAMSA-N
XLogP7.83
TPSA92.30 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds19
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500762.90
LogP ≤ 57.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze (4aR,6R,7R,8S,8aS)-6-[(2R)-2,3-bis[(4-methoxyphenyl)methoxy]propoxy]-2-phenyl-7,8-bis(phenylmethoxy)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine with MolForge

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Launch Full Analysis

Related Compounds

(2S,4aR,6R,7R,8S,8aS)-6-[[(2R,3S,4S,5R,6R)-6-[(2S)-2,3-bis[(4-methoxyphenyl)methoxy]propoxy]-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]-2-phenyl-7,8-bis(phenylmethoxy)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine
CID 25198600
(6R,8S,8aS)-6-methoxy-7-[(4-methoxyphenyl)methoxy]-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine
CID 59269860
(2R,4aS,6R,7R,8S,8aR)-2-phenyl-6,7,8-tris(phenylmethoxy)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine
CID 71776412
(2S,4aR,6S,7R,8S,8aS)-2-phenyl-6,7,8-tris(phenylmethoxy)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine
CID 97045413
(4aR,6R,7R,8S,8aR)-8-[(4-methoxyphenyl)methoxy]-2-phenyl-7-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-6-thiolate
CID 102191031
(4aR,6S,7S,8S,8aR)-6-[[(4aR,6S,7S,8S,8aR)-6-[[(4aR,6R,7S,8S,8aR)-6-cyclohexyloxy-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]oxy]-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]oxy]-7-[(4-methoxyphenyl)methoxy]-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine
CID 101141635
(2S,4aR,6S,7R,8R,8aS)-8-[(4-methoxyphenyl)methoxy]-2-phenyl-6-[(2R,3R,4S,5R,6S)-4,5,6-tris(phenylmethoxy)-2-(phenylmethoxymethyl)oxan-3-yl]oxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-ol
CID 11104953
(4aR,6S,7S,8S,8aR)-6-[[(4aR,6R,7S,8S,8aR)-6-ethylsulfanyl-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]oxy]-7-[(4-methoxyphenyl)methoxy]-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine
CID 132532328
6-(4-methoxyphenoxy)-2-phenyl-7-phenylmethoxy-8-prop-2-enoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine
CID 75059408
(2R,4aR,6R,7R,8R,8aR)-2-(4-methoxyphenyl)-6-methyl-7,8-bis(phenylmethoxy)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine
CID 97302296
(4aR,6R,7R,8R,8aS)-8-[(4-methoxyphenyl)methoxy]-2-phenyl-6-(2-trimethylsilylethoxy)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-ol
CID 68732319
(2R,4aR,6S,7S,8S,8aR)-6-[[(2R,4aR,6S,7S,8S,8aR)-6-methoxy-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]oxy]-2-phenyl-7,8-bis(phenylmethoxy)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine
CID 10509570

Frequently Asked Questions

What is the IUPAC name of (4aR,6R,7R,8S,8aS)-6-[(2R)-2,3-bis[(4-methoxyphenyl)methoxy]propoxy]-2-phenyl-7,8-bis(phenylmethoxy)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine?
The IUPAC name of (4aR,6R,7R,8S,8aS)-6-[(2R)-2,3-bis[(4-methoxyphenyl)methoxy]propoxy]-2-phenyl-7,8-bis(phenylmethoxy)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine (CID 102034787) is (4aR,6R,7R,8S,8aS)-6-[(2R)-2,3-bis[(4-methoxyphenyl)methoxy]propoxy]-2-phenyl-7,8-bis(phenylmethoxy)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine.
What is the SMILES notation for (4aR,6R,7R,8S,8aS)-6-[(2R)-2,3-bis[(4-methoxyphenyl)methoxy]propoxy]-2-phenyl-7,8-bis(phenylmethoxy)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine?
The canonical SMILES for (4aR,6R,7R,8S,8aS)-6-[(2R)-2,3-bis[(4-methoxyphenyl)methoxy]propoxy]-2-phenyl-7,8-bis(phenylmethoxy)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine is COc1ccc(COC[C@H](CO[C@@H]2O[C@@H]3COC(c4ccccc4)O[C@@H]3[C@H](OCc3ccccc3)[C@H]2OCc2ccccc2)OCc2ccc(OC)cc2)cc1.
What is the InChIKey of (4aR,6R,7R,8S,8aS)-6-[(2R)-2,3-bis[(4-methoxyphenyl)methoxy]propoxy]-2-phenyl-7,8-bis(phenylmethoxy)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine?
The InChIKey is WRTUGKXYYSQAJQ-KWPHGUAMSA-N. The full InChI is InChI=1S/C46H50O10/c1-47-38-22-18-35(19-23-38)26-49-30-40(50-27-36-20-24-39(48-2)25-21-36)31-53-46-44(52-29-34-14-8-4-9-15-34)43(51-28-33-12-6-3-7-13-33)42-41(55-46)32-54-45(56-42)37-16-10-5-11-17-37/h3-25,40-46H,26-32H2,1-2H3/t40-,41-,42+,43+,44-,45?,46-/m1/s1.
What are the key properties of (4aR,6R,7R,8S,8aS)-6-[(2R)-2,3-bis[(4-methoxyphenyl)methoxy]propoxy]-2-phenyl-7,8-bis(phenylmethoxy)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine?
(4aR,6R,7R,8S,8aS)-6-[(2R)-2,3-bis[(4-methoxyphenyl)methoxy]propoxy]-2-phenyl-7,8-bis(phenylmethoxy)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine has a molecular weight of 762.90 g/mol, XLogP of 7.83, 19 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (4aR,6R,7R,8S,8aS)-6-[(2R)-2,3-bis[(4-methoxyphenyl)methoxy]propoxy]-2-phenyl-7,8-bis(phenylmethoxy)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine is sourced from PubChem (CID 102034787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).