(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

C74H80O17 — CID 101141635

IUPAC(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
SMILESCOc1ccc(CO[C@@H]2[C@H](O[C@@H]3[C@H](O[C@@H]4[C@H](OC5CCCCC5)O[C@@H]5COC(c6ccccc6)O[C@H]5[C@@H]4OCc4ccccc4)O[C@@H]4COC(c5ccccc5)O[C@H]4[C@@H]3OCc3ccccc3)O[C@@H]3COC(c4ccccc4)O[C@H]3[C@@H]2OCc2ccccc2)cc1
InChIInChI=1S/C74H80O17/c1-75-55-39-37-51(38-40-55)44-79-66-63(76-41-48-23-9-2-10-24-48)60-57(45-80-69(87-60)52-29-15-5-16-30-52)84-72(66)90-68-65(78-43-50-27-13-4-14-28-50)62-59(47-82-71(89-62)54-33-19-7-20-34-54)86-74(68)91-67-64(77-42-49-25-11-3-12-26-49)61-58(85-73(67)83-56-35-21-8-22-36-56)46-81-70(88-61)53-31-17-6-18-32-53/h2-7,9-20,23-34,37-40,56-74H,8,21-22,35-36,41-47H2,1H3/t57-,58-,59-,60-,61-,62-,63+,64+,65+,66+,67+,68+,69?,70?,71?,72+,73-,74+/m1/s1
InChIKeyJAGSBBZQXDWNJE-JFYXDJSHSA-N
MW1241.44 g/mol
LogP11.97
Rot. Bonds22

About (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

(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 (PubChem CID 101141635) has the molecular formula C74H80O17 and a molecular weight of 1241.44 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID101141635
Molecular FormulaC74H80O17
Molecular Weight1241.44 g/mol
Exact Mass1240.54
IUPAC Name(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
SMILESCOc1ccc(CO[C@@H]2[C@H](O[C@@H]3[C@H](O[C@@H]4[C@H](OC5CCCCC5)O[C@@H]5COC(c6ccccc6)O[C@H]5[C@@H]4OCc4ccccc4)O[C@@H]4COC(c5ccccc5)O[C@H]4[C@@H]3OCc3ccccc3)O[C@@H]3COC(c4ccccc4)O[C@H]3[C@@H]2OCc2ccccc2)cc1
InChIInChI=1S/C74H80O17/c1-75-55-39-37-51(38-40-55)44-79-66-63(76-41-48-23-9-2-10-24-48)60-57(45-80-69(87-60)52-29-15-5-16-30-52)84-72(66)90-68-65(78-43-50-27-13-4-14-28-50)62-59(47-82-71(89-62)54-33-19-7-20-34-54)86-74(68)91-67-64(77-42-49-25-11-3-12-26-49)61-58(85-73(67)83-56-35-21-8-22-36-56)46-81-70(88-61)53-31-17-6-18-32-53/h2-7,9-20,23-34,37-40,56-74H,8,21-22,35-36,41-47H2,1H3/t57-,58-,59-,60-,61-,62-,63+,64+,65+,66+,67+,68+,69?,70?,71?,72+,73-,74+/m1/s1
InChIKeyJAGSBBZQXDWNJE-JFYXDJSHSA-N
XLogP11.97
TPSA156.91 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds22
Heavy Atoms91
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001241.44
LogP ≤ 511.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

Analyze (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 with MolForge

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Related Compounds

(2S,4aR,7R,8S,8aS)-6-cyclohexyloxy-2-phenyl-7,8-bis(phenylmethoxy)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine
CID 10951566
(4aR,6R,7S,8S,8aR)-6-cyclohexyloxy-2-phenyl-7,8-bis(phenylmethoxy)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine
CID 122226975
(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,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
(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
(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
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,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
(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,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
(4aR,6S,7R,8R,8aR)-8-[[(4aR,6S,7S,8R,8aR)-8-[[(4aR,6S,7S,8S,8aR)-2-phenyl-7,8-bis(phenylmethoxy)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-7-hydroxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-ol
CID 102349967

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is COc1ccc(CO[C@@H]2[C@H](O[C@@H]3[C@H](O[C@@H]4[C@H](OC5CCCCC5)O[C@@H]5COC(c6ccccc6)O[C@H]5[C@@H]4OCc4ccccc4)O[C@@H]4COC(c5ccccc5)O[C@H]4[C@@H]3OCc3ccccc3)O[C@@H]3COC(c4ccccc4)O[C@H]3[C@@H]2OCc2ccccc2)cc1.
What is the InChIKey of (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?
The InChIKey is JAGSBBZQXDWNJE-JFYXDJSHSA-N. The full InChI is InChI=1S/C74H80O17/c1-75-55-39-37-51(38-40-55)44-79-66-63(76-41-48-23-9-2-10-24-48)60-57(45-80-69(87-60)52-29-15-5-16-30-52)84-72(66)90-68-65(78-43-50-27-13-4-14-28-50)62-59(47-82-71(89-62)54-33-19-7-20-34-54)86-74(68)91-67-64(77-42-49-25-11-3-12-26-49)61-58(85-73(67)83-56-35-21-8-22-36-56)46-81-70(88-61)53-31-17-6-18-32-53/h2-7,9-20,23-34,37-40,56-74H,8,21-22,35-36,41-47H2,1H3/t57-,58-,59-,60-,61-,62-,63+,64+,65+,66+,67+,68+,69?,70?,71?,72+,73-,74+/m1/s1.
What are the key properties of (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?
(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 has a molecular weight of 1241.44 g/mol, XLogP of 11.97, 22 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 101141635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).