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

C15H19N3O5 — CID 124837440

IUPAC(2S,4aR,6R,7R,8S,8aR)-7-azido-6-methoxy-2-methyl-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@](C)(c3ccccc3)O[C@@H]2[C@@H](O)[C@H]1N=[N+]=[N-]
InChIInChI=1S/C15H19N3O5/c1-15(9-6-4-3-5-7-9)21-8-10-13(23-15)12(19)11(17-18-16)14(20-2)22-10/h3-7,10-14,19H,8H2,1-2H3/t10-,11-,12+,13+,14-,15+/m1/s1
InChIKeyNUVHFJVIWQKKGF-YRKSKIDTSA-N
MW321.33 g/mol
LogP1.69
Rot. Bonds3

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

(2S,4aR,6R,7R,8S,8aR)-7-azido-6-methoxy-2-methyl-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-ol (PubChem CID 124837440) has the molecular formula C15H19N3O5 and a molecular weight of 321.33 g/mol. Its IUPAC name is (2S,4aR,6R,7R,8S,8aR)-7-azido-6-methoxy-2-methyl-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-ol.

Molecular Properties

Compound Name(2S,4aR,6R,7R,8S,8aR)-7-azido-6-methoxy-2-methyl-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-ol
PubChem CID124837440
Molecular FormulaC15H19N3O5
Molecular Weight321.33 g/mol
Exact Mass321.13
IUPAC Name(2S,4aR,6R,7R,8S,8aR)-7-azido-6-methoxy-2-methyl-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@](C)(c3ccccc3)O[C@@H]2[C@@H](O)[C@H]1N=[N+]=[N-]
InChIInChI=1S/C15H19N3O5/c1-15(9-6-4-3-5-7-9)21-8-10-13(23-15)12(19)11(17-18-16)14(20-2)22-10/h3-7,10-14,19H,8H2,1-2H3/t10-,11-,12+,13+,14-,15+/m1/s1
InChIKeyNUVHFJVIWQKKGF-YRKSKIDTSA-N
XLogP1.69
TPSA105.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.33
LogP ≤ 51.69
H-Bond Donors ≤ 51
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 (2S,4aR,6R,7R,8S,8aR)-7-azido-6-methoxy-2-methyl-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-ol with MolForge

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

Launch Full Analysis

Related Compounds

(2S,4aR,6R,7S,8R,8aR)-7-azido-6-methoxy-2-methyl-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-ol
CID 124837438
(2S,4aR,6S,7R,8S,8aR)-6,7,8-trimethoxy-2-methyl-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine
CID 100941912
(2S,4aR,6S,7S,8S,8aR)-7-azido-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-ol
CID 100900575
(6R,7R,8aR)-7-azido-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-ol
CID 58097823
(2S,4aR,6R,7S,8S,8aS)-7-azido-2-benzyl-6-methoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-ol
CID 125028626
(2R,4aR,6S,7R,8S,8aS)-8-azido-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-ol
CID 11702261
(2S,4aR,6S,7R,8R,8aR)-7-azido-6-methoxy-2-(4-methoxyphenyl)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-ol
CID 101265719
7-azido-2-methyl-6-(2-phenylethoxy)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-ol
CID 59842213
[(2R,4aR,6R,7R,8S,8aR)-8-azido-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl] acetate
CID 125028382
(8S,8aR)-8-azido-6,7-dimethoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine
CID 163940730
(6S,8R,8aS)-7-azido-6-[tert-butyl(diphenyl)silyl]oxy-2-(4-methoxyphenyl)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-ol
CID 91440035
(2R,3S,4R,5R,6S)-5-azido-2-(hydroxymethyl)-6-methoxy-4-phenylmethoxyoxan-3-ol
CID 52918421

Frequently Asked Questions

What is the IUPAC name of (2S,4aR,6R,7R,8S,8aR)-7-azido-6-methoxy-2-methyl-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-ol?
The IUPAC name of (2S,4aR,6R,7R,8S,8aR)-7-azido-6-methoxy-2-methyl-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-ol (CID 124837440) is (2S,4aR,6R,7R,8S,8aR)-7-azido-6-methoxy-2-methyl-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-ol.
What is the SMILES notation for (2S,4aR,6R,7R,8S,8aR)-7-azido-6-methoxy-2-methyl-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-ol?
The canonical SMILES for (2S,4aR,6R,7R,8S,8aR)-7-azido-6-methoxy-2-methyl-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@](C)(c3ccccc3)O[C@@H]2[C@@H](O)[C@H]1N=[N+]=[N-].
What is the InChIKey of (2S,4aR,6R,7R,8S,8aR)-7-azido-6-methoxy-2-methyl-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-ol?
The InChIKey is NUVHFJVIWQKKGF-YRKSKIDTSA-N. The full InChI is InChI=1S/C15H19N3O5/c1-15(9-6-4-3-5-7-9)21-8-10-13(23-15)12(19)11(17-18-16)14(20-2)22-10/h3-7,10-14,19H,8H2,1-2H3/t10-,11-,12+,13+,14-,15+/m1/s1.
What are the key properties of (2S,4aR,6R,7R,8S,8aR)-7-azido-6-methoxy-2-methyl-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-ol?
(2S,4aR,6R,7R,8S,8aR)-7-azido-6-methoxy-2-methyl-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-ol has a molecular weight of 321.33 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4aR,6R,7R,8S,8aR)-7-azido-6-methoxy-2-methyl-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-ol is sourced from PubChem (CID 124837440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).