(2R,4aR,6S,7R,8R,8aS)-7-azido-2-phenyl-8-phenylmethoxy-6-phenylsulfanyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine

C26H25N3O4S — CID 10672222

IUPAC(2R,4aR,6S,7R,8R,8aS)-7-azido-2-phenyl-8-phenylmethoxy-6-phenylsulfanyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine
SMILES[N-]=[N+]=N[C@@H]1[C@@H](OCc2ccccc2)[C@@H]2O[C@H](c3ccccc3)OC[C@H]2O[C@H]1Sc1ccccc1
InChIInChI=1S/C26H25N3O4S/c27-29-28-22-24(30-16-18-10-4-1-5-11-18)23-21(32-26(22)34-20-14-8-3-9-15-20)17-31-25(33-23)19-12-6-2-7-13-19/h1-15,21-26H,16-17H2/t21-,22-,23-,24-,25-,26+/m1/s1
InChIKeyGYANYTDSBUXYFW-JVIQZWCRSA-N
MW475.57 g/mol
LogP5.88
Rot. Bonds7

About (2R,4aR,6S,7R,8R,8aS)-7-azido-2-phenyl-8-phenylmethoxy-6-phenylsulfanyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine

(2R,4aR,6S,7R,8R,8aS)-7-azido-2-phenyl-8-phenylmethoxy-6-phenylsulfanyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine (PubChem CID 10672222) has the molecular formula C26H25N3O4S and a molecular weight of 475.57 g/mol. Its IUPAC name is (2R,4aR,6S,7R,8R,8aS)-7-azido-2-phenyl-8-phenylmethoxy-6-phenylsulfanyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine.

Molecular Properties

Compound Name(2R,4aR,6S,7R,8R,8aS)-7-azido-2-phenyl-8-phenylmethoxy-6-phenylsulfanyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine
PubChem CID10672222
Molecular FormulaC26H25N3O4S
Molecular Weight475.57 g/mol
Exact Mass475.16
IUPAC Name(2R,4aR,6S,7R,8R,8aS)-7-azido-2-phenyl-8-phenylmethoxy-6-phenylsulfanyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine
SMILES[N-]=[N+]=N[C@@H]1[C@@H](OCc2ccccc2)[C@@H]2O[C@H](c3ccccc3)OC[C@H]2O[C@H]1Sc1ccccc1
InChIInChI=1S/C26H25N3O4S/c27-29-28-22-24(30-16-18-10-4-1-5-11-18)23-21(32-26(22)34-20-14-8-3-9-15-20)17-31-25(33-23)19-12-6-2-7-13-19/h1-15,21-26H,16-17H2/t21-,22-,23-,24-,25-,26+/m1/s1
InChIKeyGYANYTDSBUXYFW-JVIQZWCRSA-N
XLogP5.88
TPSA85.68 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.57
LogP ≤ 55.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R,4aR,6S,7R,8R,8aS)-7-azido-2-phenyl-8-phenylmethoxy-6-phenylsulfanyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine?
The IUPAC name of (2R,4aR,6S,7R,8R,8aS)-7-azido-2-phenyl-8-phenylmethoxy-6-phenylsulfanyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine (CID 10672222) is (2R,4aR,6S,7R,8R,8aS)-7-azido-2-phenyl-8-phenylmethoxy-6-phenylsulfanyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine.
What is the SMILES notation for (2R,4aR,6S,7R,8R,8aS)-7-azido-2-phenyl-8-phenylmethoxy-6-phenylsulfanyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine?
The canonical SMILES for (2R,4aR,6S,7R,8R,8aS)-7-azido-2-phenyl-8-phenylmethoxy-6-phenylsulfanyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine is [N-]=[N+]=N[C@@H]1[C@@H](OCc2ccccc2)[C@@H]2O[C@H](c3ccccc3)OC[C@H]2O[C@H]1Sc1ccccc1.
What is the InChIKey of (2R,4aR,6S,7R,8R,8aS)-7-azido-2-phenyl-8-phenylmethoxy-6-phenylsulfanyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine?
The InChIKey is GYANYTDSBUXYFW-JVIQZWCRSA-N. The full InChI is InChI=1S/C26H25N3O4S/c27-29-28-22-24(30-16-18-10-4-1-5-11-18)23-21(32-26(22)34-20-14-8-3-9-15-20)17-31-25(33-23)19-12-6-2-7-13-19/h1-15,21-26H,16-17H2/t21-,22-,23-,24-,25-,26+/m1/s1.
What are the key properties of (2R,4aR,6S,7R,8R,8aS)-7-azido-2-phenyl-8-phenylmethoxy-6-phenylsulfanyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine?
(2R,4aR,6S,7R,8R,8aS)-7-azido-2-phenyl-8-phenylmethoxy-6-phenylsulfanyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine has a molecular weight of 475.57 g/mol, XLogP of 5.88, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4aR,6S,7R,8R,8aS)-7-azido-2-phenyl-8-phenylmethoxy-6-phenylsulfanyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine is sourced from PubChem (CID 10672222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).