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

C47H48O9S — CID 21054089

IUPAC7-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
SMILESCC1C(OC2C(Sc3ccccc3)OC3COC(c4ccccc4)OC3C2OCc2ccccc2)OC2COC(c3ccccc3)OC2C1OCc1ccccc1
InChIInChI=1S/C47H48O9S/c1-31-39(48-27-32-17-7-2-8-18-32)40-37(29-50-45(54-40)34-21-11-4-12-22-34)52-44(31)56-43-42(49-28-33-19-9-3-10-20-33)41-38(53-47(43)57-36-25-15-6-16-26-36)30-51-46(55-41)35-23-13-5-14-24-35/h2-26,31,37-47H,27-30H2,1H3
InChIKeyQARPKTCFCGDGSD-UHFFFAOYSA-N
MW788.96 g/mol
LogP8.65
Rot. Bonds12

About 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

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 (PubChem CID 21054089) has the molecular formula C47H48O9S and a molecular weight of 788.96 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name7-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
PubChem CID21054089
Molecular FormulaC47H48O9S
Molecular Weight788.96 g/mol
Exact Mass788.30
IUPAC Name7-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
SMILESCC1C(OC2C(Sc3ccccc3)OC3COC(c4ccccc4)OC3C2OCc2ccccc2)OC2COC(c3ccccc3)OC2C1OCc1ccccc1
InChIInChI=1S/C47H48O9S/c1-31-39(48-27-32-17-7-2-8-18-32)40-37(29-50-45(54-40)34-21-11-4-12-22-34)52-44(31)56-43-42(49-28-33-19-9-3-10-20-33)41-38(53-47(43)57-36-25-15-6-16-26-36)30-51-46(55-41)35-23-13-5-14-24-35/h2-26,31,37-47H,27-30H2,1H3
InChIKeyQARPKTCFCGDGSD-UHFFFAOYSA-N
XLogP8.65
TPSA83.07 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds12
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500788.96
LogP ≤ 58.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 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 with MolForge

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Launch Full Analysis

Related Compounds

(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
(4aR,6R,7S,8S,8aR)-6-(4-methylphenyl)sulfanyl-2-phenyl-7,8-bis(phenylmethoxy)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine
CID 102574503
(4aR,6R,7R,8S,8aR)-7-methylsulfanyl-2-phenyl-8-phenylmethoxy-6-phenylsulfanyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine
CID 102161533
(4aR,6S,7S,8S,8aR)-2-phenyl-8-phenylmethoxy-6,7-bis(phenylsulfanyl)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine
CID 102161523
(4aR,6S,7S,8S,8aR)-6-[[(4aR,6R,7S,8S,8aR)-2-phenyl-6-phenylsulfanyl-7-prop-2-ynoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy]-2-phenyl-7,8-bis(phenylmethoxy)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine
CID 102349965
(2R,4aR,6R,7S,8S,8aR)-8-(naphthalen-2-ylmethoxy)-2-phenyl-7-phenylmethoxy-6-phenylsulfanyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine
CID 71623608
(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
(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
(4aS,6S,7S,8S,8aR)-7,8-bis[(4-methoxyphenyl)methoxy]-6-(4-methylphenyl)sulfanyl-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine
CID 163285030
(2R,4aR,6R,7R,8S,8aS)-7,8-bis[(4-methoxyphenyl)methoxy]-6-(4-methylphenyl)sulfanyl-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine
CID 124638624
(4aR,7S,8R,8aR)-6-methyl-2-phenyl-7,8-bis(phenylmethoxy)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine
CID 167040724
(6S,8S,8aR)-6-methyl-2-phenyl-7,8-bis(phenylmethoxy)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine
CID 71013745

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1C(OC2C(Sc3ccccc3)OC3COC(c4ccccc4)OC3C2OCc2ccccc2)OC2COC(c3ccccc3)OC2C1OCc1ccccc1.
What is the InChIKey of 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?
The InChIKey is QARPKTCFCGDGSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H48O9S/c1-31-39(48-27-32-17-7-2-8-18-32)40-37(29-50-45(54-40)34-21-11-4-12-22-34)52-44(31)56-43-42(49-28-33-19-9-3-10-20-33)41-38(53-47(43)57-36-25-15-6-16-26-36)30-51-46(55-41)35-23-13-5-14-24-35/h2-26,31,37-47H,27-30H2,1H3.
What are the key properties of 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?
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 has a molecular weight of 788.96 g/mol, XLogP of 8.65, 12 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 21054089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).