6-[[2-phenyl-7,8-bis(phenylmethoxy)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-3,8-dioxatricyclo[5.2.0.02,9]nonan-5-ol

C34H36O9 — CID 123150883

IUPAC6-[[2-phenyl-7,8-bis(phenylmethoxy)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-3,8-dioxatricyclo[5.2.0.02,9]nonan-5-ol
SMILESOC1COC2C3OC(C1OC1OC4COC(c5ccccc5)OC4C(OCc4ccccc4)C1OCc1ccccc1)C23
InChIInChI=1S/C34H36O9/c35-23-18-38-28-25-29(41-30(25)28)26(23)42-34-32(37-17-21-12-6-2-7-13-21)31(36-16-20-10-4-1-5-11-20)27-24(40-34)19-39-33(43-27)22-14-8-3-9-15-22/h1-15,23-35H,16-19H2
InChIKeyPATMPGZNVKKPGS-UHFFFAOYSA-N
MW588.65 g/mol
LogP3.54
Rot. Bonds9

About 6-[[2-phenyl-7,8-bis(phenylmethoxy)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-3,8-dioxatricyclo[5.2.0.02,9]nonan-5-ol

6-[[2-phenyl-7,8-bis(phenylmethoxy)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-3,8-dioxatricyclo[5.2.0.02,9]nonan-5-ol (PubChem CID 123150883) has the molecular formula C34H36O9 and a molecular weight of 588.65 g/mol. Its IUPAC name is 6-[[2-phenyl-7,8-bis(phenylmethoxy)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-3,8-dioxatricyclo[5.2.0.02,9]nonan-5-ol.

Molecular Properties

Compound Name6-[[2-phenyl-7,8-bis(phenylmethoxy)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-3,8-dioxatricyclo[5.2.0.02,9]nonan-5-ol
PubChem CID123150883
Molecular FormulaC34H36O9
Molecular Weight588.65 g/mol
Exact Mass588.24
IUPAC Name6-[[2-phenyl-7,8-bis(phenylmethoxy)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-3,8-dioxatricyclo[5.2.0.02,9]nonan-5-ol
SMILESOC1COC2C3OC(C1OC1OC4COC(c5ccccc5)OC4C(OCc4ccccc4)C1OCc1ccccc1)C23
InChIInChI=1S/C34H36O9/c35-23-18-38-28-25-29(41-30(25)28)26(23)42-34-32(37-17-21-12-6-2-7-13-21)31(36-16-20-10-4-1-5-11-20)27-24(40-34)19-39-33(43-27)22-14-8-3-9-15-22/h1-15,23-35H,16-19H2
InChIKeyPATMPGZNVKKPGS-UHFFFAOYSA-N
XLogP3.54
TPSA94.07 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500588.65
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 6-[[2-phenyl-7,8-bis(phenylmethoxy)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-3,8-dioxatricyclo[5.2.0.02,9]nonan-5-ol with MolForge

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Related Compounds

(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
(1S,2R,4R,5S,6S)-5-[[(4aR,6S,7R,8S,8aR)-2-phenyl-7,8-bis(phenylmethoxy)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-3,8,9-trioxatricyclo[4.2.1.02,4]nonane
CID 139367022
(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,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
(2R,4aS,6S,7S,8R,8aR)-2-phenyl-6,8-bis(phenylmethoxy)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-ol
CID 124552800
(6R,8R,8aR)-7-[[(6S,8R,8aR)-7-[[(6S,8R,8aR)-7-[[(6S,8S,8aR)-7-hydroxy-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-ol
CID 91327347
(6R,8R,8aR)-7-[[(6S,8S,8aR)-7-hydroxy-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-ol
CID 90886649
(8S,8aS)-7-[[(6S,8R,8aS)-7-hydroxy-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-ol
CID 58699845
(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
(3R,4S,5R,6R)-5-[[(2S,4aR,6S,7R,8S,8aS)-2-phenyl-7,8-bis(phenylmethoxy)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-3,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-ol
CID 10581495

Frequently Asked Questions

What is the IUPAC name of 6-[[2-phenyl-7,8-bis(phenylmethoxy)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-3,8-dioxatricyclo[5.2.0.02,9]nonan-5-ol?
The IUPAC name of 6-[[2-phenyl-7,8-bis(phenylmethoxy)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-3,8-dioxatricyclo[5.2.0.02,9]nonan-5-ol (CID 123150883) is 6-[[2-phenyl-7,8-bis(phenylmethoxy)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-3,8-dioxatricyclo[5.2.0.02,9]nonan-5-ol.
What is the SMILES notation for 6-[[2-phenyl-7,8-bis(phenylmethoxy)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-3,8-dioxatricyclo[5.2.0.02,9]nonan-5-ol?
The canonical SMILES for 6-[[2-phenyl-7,8-bis(phenylmethoxy)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-3,8-dioxatricyclo[5.2.0.02,9]nonan-5-ol is OC1COC2C3OC(C1OC1OC4COC(c5ccccc5)OC4C(OCc4ccccc4)C1OCc1ccccc1)C23.
What is the InChIKey of 6-[[2-phenyl-7,8-bis(phenylmethoxy)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-3,8-dioxatricyclo[5.2.0.02,9]nonan-5-ol?
The InChIKey is PATMPGZNVKKPGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H36O9/c35-23-18-38-28-25-29(41-30(25)28)26(23)42-34-32(37-17-21-12-6-2-7-13-21)31(36-16-20-10-4-1-5-11-20)27-24(40-34)19-39-33(43-27)22-14-8-3-9-15-22/h1-15,23-35H,16-19H2.
What are the key properties of 6-[[2-phenyl-7,8-bis(phenylmethoxy)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-3,8-dioxatricyclo[5.2.0.02,9]nonan-5-ol?
6-[[2-phenyl-7,8-bis(phenylmethoxy)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-3,8-dioxatricyclo[5.2.0.02,9]nonan-5-ol has a molecular weight of 588.65 g/mol, XLogP of 3.54, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-phenyl-7,8-bis(phenylmethoxy)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-3,8-dioxatricyclo[5.2.0.02,9]nonan-5-ol is sourced from PubChem (CID 123150883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).