(4aR,7S,8R,8aS)-1,4-diphenyl-7-phenylmethoxy-3,4a,5,7,8,8a-hexahydro-2H-pyrano[3,4-b]pyrazin-8-ol

C26H28N2O3 — CID 15851191

IUPAC(4aR,7S,8R,8aS)-1,4-diphenyl-7-phenylmethoxy-3,4a,5,7,8,8a-hexahydro-2H-pyrano[3,4-b]pyrazin-8-ol
SMILESO[C@H]1[C@@H](OCc2ccccc2)OC[C@H]2[C@@H]1N(c1ccccc1)CCN2c1ccccc1
InChIInChI=1S/C26H28N2O3/c29-25-24-23(19-31-26(25)30-18-20-10-4-1-5-11-20)27(21-12-6-2-7-13-21)16-17-28(24)22-14-8-3-9-15-22/h1-15,23-26,29H,16-19H2/t23-,24-,25+,26-/m0/s1
InChIKeyJAHREXQAOQORME-SSUZURRFSA-N
MW416.52 g/mol
LogP3.68
Rot. Bonds5

About (4aR,7S,8R,8aS)-1,4-diphenyl-7-phenylmethoxy-3,4a,5,7,8,8a-hexahydro-2H-pyrano[3,4-b]pyrazin-8-ol

(4aR,7S,8R,8aS)-1,4-diphenyl-7-phenylmethoxy-3,4a,5,7,8,8a-hexahydro-2H-pyrano[3,4-b]pyrazin-8-ol (PubChem CID 15851191) has the molecular formula C26H28N2O3 and a molecular weight of 416.52 g/mol. Its IUPAC name is (4aR,7S,8R,8aS)-1,4-diphenyl-7-phenylmethoxy-3,4a,5,7,8,8a-hexahydro-2H-pyrano[3,4-b]pyrazin-8-ol.

Molecular Properties

Compound Name(4aR,7S,8R,8aS)-1,4-diphenyl-7-phenylmethoxy-3,4a,5,7,8,8a-hexahydro-2H-pyrano[3,4-b]pyrazin-8-ol
PubChem CID15851191
Molecular FormulaC26H28N2O3
Molecular Weight416.52 g/mol
Exact Mass416.21
IUPAC Name(4aR,7S,8R,8aS)-1,4-diphenyl-7-phenylmethoxy-3,4a,5,7,8,8a-hexahydro-2H-pyrano[3,4-b]pyrazin-8-ol
SMILESO[C@H]1[C@@H](OCc2ccccc2)OC[C@H]2[C@@H]1N(c1ccccc1)CCN2c1ccccc1
InChIInChI=1S/C26H28N2O3/c29-25-24-23(19-31-26(25)30-18-20-10-4-1-5-11-20)27(21-12-6-2-7-13-21)16-17-28(24)22-14-8-3-9-15-22/h1-15,23-26,29H,16-19H2/t23-,24-,25+,26-/m0/s1
InChIKeyJAHREXQAOQORME-SSUZURRFSA-N
XLogP3.68
TPSA45.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.52
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (4aR,7S,8R,8aS)-1,4-diphenyl-7-phenylmethoxy-3,4a,5,7,8,8a-hexahydro-2H-pyrano[3,4-b]pyrazin-8-ol with MolForge

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Launch Full Analysis

Related Compounds

(4aS,7S,8S,8aR)-1,4-diphenyl-7-phenylmethoxy-3,4a,5,7,8,8a-hexahydro-2H-pyrano[3,4-b]pyrazin-8-ol
CID 15851190
(2R,3R,4S,5S)-2-phenylmethoxyoxane-3,4,5-triol
CID 11253449
(2R,3S,4R,5S)-2-phenylmethoxyoxane-3,4,5-triol
CID 11564962
(2S,3S,4R,5R)-5-bromo-2-phenylmethoxyoxane-3,4-diol
CID 125469481
(3R,4R,5S,6R)-4,5-dihydroxy-6-phenylmethoxyoxane-3-carbonitrile
CID 12002844
(1S,4S,5S,6R)-4-phenylmethoxy-3,7-dioxabicyclo[4.1.0]heptan-5-ol
CID 15939647
2-(4,5-dihydroxy-6-phenylmethoxyoxan-3-yl)oxyoxane-3,4,5-triol
CID 155889463
1-phenyl-4-[(1R,2S,5S,6R)-2-phenylmethoxy-3,7-dioxabicyclo[4.1.0]heptan-5-yl]piperazine
CID 10737641
(3R,4S,5S,6R)-2-phenylmethoxy-6-[[(3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxane-3,4,5-triol
CID 163193773
(2S,3S,4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-methyl-2-phenylmethoxyoxan-3-ol
CID 14160927
[(3S,4R,5R,6R)-4,5-dihydroxy-6-phenylmethoxyoxan-3-yl] benzoate
CID 102458437
(3aS,6S,7S,7aR)-7-hydroxy-6-phenylmethoxy-4,6,7,7a-tetrahydro-3aH-[1,3]dithiolo[4,5-c]pyran-2-thione
CID 101223208

Frequently Asked Questions

What is the IUPAC name of (4aR,7S,8R,8aS)-1,4-diphenyl-7-phenylmethoxy-3,4a,5,7,8,8a-hexahydro-2H-pyrano[3,4-b]pyrazin-8-ol?
The IUPAC name of (4aR,7S,8R,8aS)-1,4-diphenyl-7-phenylmethoxy-3,4a,5,7,8,8a-hexahydro-2H-pyrano[3,4-b]pyrazin-8-ol (CID 15851191) is (4aR,7S,8R,8aS)-1,4-diphenyl-7-phenylmethoxy-3,4a,5,7,8,8a-hexahydro-2H-pyrano[3,4-b]pyrazin-8-ol.
What is the SMILES notation for (4aR,7S,8R,8aS)-1,4-diphenyl-7-phenylmethoxy-3,4a,5,7,8,8a-hexahydro-2H-pyrano[3,4-b]pyrazin-8-ol?
The canonical SMILES for (4aR,7S,8R,8aS)-1,4-diphenyl-7-phenylmethoxy-3,4a,5,7,8,8a-hexahydro-2H-pyrano[3,4-b]pyrazin-8-ol is O[C@H]1[C@@H](OCc2ccccc2)OC[C@H]2[C@@H]1N(c1ccccc1)CCN2c1ccccc1.
What is the InChIKey of (4aR,7S,8R,8aS)-1,4-diphenyl-7-phenylmethoxy-3,4a,5,7,8,8a-hexahydro-2H-pyrano[3,4-b]pyrazin-8-ol?
The InChIKey is JAHREXQAOQORME-SSUZURRFSA-N. The full InChI is InChI=1S/C26H28N2O3/c29-25-24-23(19-31-26(25)30-18-20-10-4-1-5-11-20)27(21-12-6-2-7-13-21)16-17-28(24)22-14-8-3-9-15-22/h1-15,23-26,29H,16-19H2/t23-,24-,25+,26-/m0/s1.
What are the key properties of (4aR,7S,8R,8aS)-1,4-diphenyl-7-phenylmethoxy-3,4a,5,7,8,8a-hexahydro-2H-pyrano[3,4-b]pyrazin-8-ol?
(4aR,7S,8R,8aS)-1,4-diphenyl-7-phenylmethoxy-3,4a,5,7,8,8a-hexahydro-2H-pyrano[3,4-b]pyrazin-8-ol has a molecular weight of 416.52 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4aR,7S,8R,8aS)-1,4-diphenyl-7-phenylmethoxy-3,4a,5,7,8,8a-hexahydro-2H-pyrano[3,4-b]pyrazin-8-ol is sourced from PubChem (CID 15851191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).