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

C20H23NO5 — CID 11002820

IUPAC(2R,4aR,6S,7R,8R,8aS)-7-amino-2-phenyl-6-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-ol
SMILESN[C@H]1[C@@H](OCc2ccccc2)O[C@@H]2CO[C@@H](c3ccccc3)O[C@H]2[C@@H]1O
InChIInChI=1S/C20H23NO5/c21-16-17(22)18-15(12-24-19(26-18)14-9-5-2-6-10-14)25-20(16)23-11-13-7-3-1-4-8-13/h1-10,15-20,22H,11-12,21H2/t15-,16-,17-,18-,19-,20+/m1/s1
InChIKeyBOSPELTZTUYCQA-PJBUMPDVSA-N
MW357.41 g/mol
LogP1.73
Rot. Bonds4

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

(2R,4aR,6S,7R,8R,8aS)-7-amino-2-phenyl-6-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-ol (PubChem CID 11002820) has the molecular formula C20H23NO5 and a molecular weight of 357.41 g/mol. Its IUPAC name is (2R,4aR,6S,7R,8R,8aS)-7-amino-2-phenyl-6-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-ol.

Molecular Properties

Compound Name(2R,4aR,6S,7R,8R,8aS)-7-amino-2-phenyl-6-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-ol
PubChem CID11002820
Molecular FormulaC20H23NO5
Molecular Weight357.41 g/mol
Exact Mass357.16
IUPAC Name(2R,4aR,6S,7R,8R,8aS)-7-amino-2-phenyl-6-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-ol
SMILESN[C@H]1[C@@H](OCc2ccccc2)O[C@@H]2CO[C@@H](c3ccccc3)O[C@H]2[C@@H]1O
InChIInChI=1S/C20H23NO5/c21-16-17(22)18-15(12-24-19(26-18)14-9-5-2-6-10-14)25-20(16)23-11-13-7-3-1-4-8-13/h1-10,15-20,22H,11-12,21H2/t15-,16-,17-,18-,19-,20+/m1/s1
InChIKeyBOSPELTZTUYCQA-PJBUMPDVSA-N
XLogP1.73
TPSA83.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Frequently Asked Questions

What is the IUPAC name of (2R,4aR,6S,7R,8R,8aS)-7-amino-2-phenyl-6-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-ol?
The IUPAC name of (2R,4aR,6S,7R,8R,8aS)-7-amino-2-phenyl-6-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-ol (CID 11002820) is (2R,4aR,6S,7R,8R,8aS)-7-amino-2-phenyl-6-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-ol.
What is the SMILES notation for (2R,4aR,6S,7R,8R,8aS)-7-amino-2-phenyl-6-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-ol?
The canonical SMILES for (2R,4aR,6S,7R,8R,8aS)-7-amino-2-phenyl-6-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-ol is N[C@H]1[C@@H](OCc2ccccc2)O[C@@H]2CO[C@@H](c3ccccc3)O[C@H]2[C@@H]1O.
What is the InChIKey of (2R,4aR,6S,7R,8R,8aS)-7-amino-2-phenyl-6-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-ol?
The InChIKey is BOSPELTZTUYCQA-PJBUMPDVSA-N. The full InChI is InChI=1S/C20H23NO5/c21-16-17(22)18-15(12-24-19(26-18)14-9-5-2-6-10-14)25-20(16)23-11-13-7-3-1-4-8-13/h1-10,15-20,22H,11-12,21H2/t15-,16-,17-,18-,19-,20+/m1/s1.
What are the key properties of (2R,4aR,6S,7R,8R,8aS)-7-amino-2-phenyl-6-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-ol?
(2R,4aR,6S,7R,8R,8aS)-7-amino-2-phenyl-6-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-ol has a molecular weight of 357.41 g/mol, XLogP of 1.73, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4aR,6S,7R,8R,8aS)-7-amino-2-phenyl-6-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-ol is sourced from PubChem (CID 11002820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).