(2R,4aR,6S,7S,8S,8aS)-7-[(3R,4R)-3,4-diphenylpyrrolidin-1-yl]-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-ol

C30H33NO5 — CID 14967173

IUPAC(2R,4aR,6S,7S,8S,8aS)-7-[(3R,4R)-3,4-diphenylpyrrolidin-1-yl]-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-ol
SMILESCO[C@H]1O[C@@H]2CO[C@@H](c3ccccc3)O[C@H]2[C@@H](O)[C@@H]1N1C[C@@H](c2ccccc2)[C@H](c2ccccc2)C1
InChIInChI=1S/C30H33NO5/c1-33-30-26(27(32)28-25(35-30)19-34-29(36-28)22-15-9-4-10-16-22)31-17-23(20-11-5-2-6-12-20)24(18-31)21-13-7-3-8-14-21/h2-16,23-30,32H,17-19H2,1H3/t23-,24-,25+,26-,27-,28+,29+,30-/m0/s1
InChIKeyLIFSJBJCRNHTPT-ZDVDPFAFSA-N
MW487.60 g/mol
LogP4.08
Rot. Bonds5

About (2R,4aR,6S,7S,8S,8aS)-7-[(3R,4R)-3,4-diphenylpyrrolidin-1-yl]-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-ol

(2R,4aR,6S,7S,8S,8aS)-7-[(3R,4R)-3,4-diphenylpyrrolidin-1-yl]-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-ol (PubChem CID 14967173) has the molecular formula C30H33NO5 and a molecular weight of 487.60 g/mol. Its IUPAC name is (2R,4aR,6S,7S,8S,8aS)-7-[(3R,4R)-3,4-diphenylpyrrolidin-1-yl]-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-ol.

Molecular Properties

Compound Name(2R,4aR,6S,7S,8S,8aS)-7-[(3R,4R)-3,4-diphenylpyrrolidin-1-yl]-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-ol
PubChem CID14967173
Molecular FormulaC30H33NO5
Molecular Weight487.60 g/mol
Exact Mass487.24
IUPAC Name(2R,4aR,6S,7S,8S,8aS)-7-[(3R,4R)-3,4-diphenylpyrrolidin-1-yl]-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-ol
SMILESCO[C@H]1O[C@@H]2CO[C@@H](c3ccccc3)O[C@H]2[C@@H](O)[C@@H]1N1C[C@@H](c2ccccc2)[C@H](c2ccccc2)C1
InChIInChI=1S/C30H33NO5/c1-33-30-26(27(32)28-25(35-30)19-34-29(36-28)22-15-9-4-10-16-22)31-17-23(20-11-5-2-6-12-20)24(18-31)21-13-7-3-8-14-21/h2-16,23-30,32H,17-19H2,1H3/t23-,24-,25+,26-,27-,28+,29+,30-/m0/s1
InChIKeyLIFSJBJCRNHTPT-ZDVDPFAFSA-N
XLogP4.08
TPSA60.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.60
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2R,4aR,6S,7S,8S,8aS)-7-[(3R,4R)-3,4-diphenylpyrrolidin-1-yl]-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-ol with MolForge

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Related Compounds

6-Methoxy-2-methyl-5-morpholino-2-(4-phenylphenyl)tetrahydropyran-3-ol
CID 5271564
(2S,6R,7S)-2-(hydroxymethyl)-7-methoxy-4-[[(2R,3R,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methyl]-1,4-oxazepan-6-ol
CID 21573885
8-Indolizinol, octahydro-1,6,7-tris(phenylmethoxy)-, 1S-(1alpha,6beta,7alpha,8beta,8abeta)-
CID 97545952
methyl 2-N,N-dibenzylamino-4,6-O-benzylidene-2-deoxy-alpha-D-glucopyranoside
CID 11202043
(2R,4aR,6S,7R,8R,8aS)-7-(benzylamino)-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-ol
CID 7909059
(2R,4aR,6S,7S,8S,8aS)-7-[(3S,4S)-3,4-diphenylpyrrolidin-1-yl]-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-ol
CID 11005431
(3S)-3-[(3aS,4R,6R,6aR)-5-benzyl-2,2-dimethyl-6-(trityloxymethyl)-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrol-4-yl]-3-(methoxymethoxy)propan-1-ol
CID 15384306
(2R,4aR,6R,7R,8R,8aS)-7-(dibenzylamino)-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-ol
CID 21576352
(2S,3S,4S,5S)-2-(3,3-dimethoxypropyl)-1-hydroxy-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)pyrrolidine
CID 46188977
6-Methoxy-7-morpholin-4-yl-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-ol
CID 72757178
(6R,8aS)-6-methoxy-7-morpholin-4-yl-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-ol
CID 134835555
(6S,8aS)-6-methoxy-7-morpholin-4-yl-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-ol
CID 134838559

Frequently Asked Questions

What is the IUPAC name of (2R,4aR,6S,7S,8S,8aS)-7-[(3R,4R)-3,4-diphenylpyrrolidin-1-yl]-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-ol?
The IUPAC name of (2R,4aR,6S,7S,8S,8aS)-7-[(3R,4R)-3,4-diphenylpyrrolidin-1-yl]-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-ol (CID 14967173) is (2R,4aR,6S,7S,8S,8aS)-7-[(3R,4R)-3,4-diphenylpyrrolidin-1-yl]-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-ol.
What is the SMILES notation for (2R,4aR,6S,7S,8S,8aS)-7-[(3R,4R)-3,4-diphenylpyrrolidin-1-yl]-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-ol?
The canonical SMILES for (2R,4aR,6S,7S,8S,8aS)-7-[(3R,4R)-3,4-diphenylpyrrolidin-1-yl]-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-ol is CO[C@H]1O[C@@H]2CO[C@@H](c3ccccc3)O[C@H]2[C@@H](O)[C@@H]1N1C[C@@H](c2ccccc2)[C@H](c2ccccc2)C1.
What is the InChIKey of (2R,4aR,6S,7S,8S,8aS)-7-[(3R,4R)-3,4-diphenylpyrrolidin-1-yl]-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-ol?
The InChIKey is LIFSJBJCRNHTPT-ZDVDPFAFSA-N. The full InChI is InChI=1S/C30H33NO5/c1-33-30-26(27(32)28-25(35-30)19-34-29(36-28)22-15-9-4-10-16-22)31-17-23(20-11-5-2-6-12-20)24(18-31)21-13-7-3-8-14-21/h2-16,23-30,32H,17-19H2,1H3/t23-,24-,25+,26-,27-,28+,29+,30-/m0/s1.
What are the key properties of (2R,4aR,6S,7S,8S,8aS)-7-[(3R,4R)-3,4-diphenylpyrrolidin-1-yl]-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-ol?
(2R,4aR,6S,7S,8S,8aS)-7-[(3R,4R)-3,4-diphenylpyrrolidin-1-yl]-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-ol has a molecular weight of 487.60 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4aR,6S,7S,8S,8aS)-7-[(3R,4R)-3,4-diphenylpyrrolidin-1-yl]-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-ol is sourced from PubChem (CID 14967173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).