(3R,4R,6R)-5-azido-2,4-dimethyl-6-phenylselanyloxan-3-ol

C13H17N3O2Se — CID 158489350

IUPAC(3R,4R,6R)-5-azido-2,4-dimethyl-6-phenylselanyloxan-3-ol
SMILESCC1O[C@H]([Se]c2ccccc2)C(N=[N+]=[N-])[C@@H](C)[C@H]1O
InChIInChI=1S/C13H17N3O2Se/c1-8-11(15-16-14)13(18-9(2)12(8)17)19-10-6-4-3-5-7-10/h3-9,11-13,17H,1-2H3/t8-,9?,11?,12-,13-/m1/s1
InChIKeyHIMRAZYLJKHSIX-DTAGJMRGSA-N
MW326.26 g/mol
LogP1.44
Rot. Bonds3

About (3R,4R,6R)-5-azido-2,4-dimethyl-6-phenylselanyloxan-3-ol

(3R,4R,6R)-5-azido-2,4-dimethyl-6-phenylselanyloxan-3-ol (PubChem CID 158489350) has the molecular formula C13H17N3O2Se and a molecular weight of 326.26 g/mol. Its IUPAC name is (3R,4R,6R)-5-azido-2,4-dimethyl-6-phenylselanyloxan-3-ol.

Molecular Properties

Compound Name(3R,4R,6R)-5-azido-2,4-dimethyl-6-phenylselanyloxan-3-ol
PubChem CID158489350
Molecular FormulaC13H17N3O2Se
Molecular Weight326.26 g/mol
Exact Mass327.05
IUPAC Name(3R,4R,6R)-5-azido-2,4-dimethyl-6-phenylselanyloxan-3-ol
SMILESCC1O[C@H]([Se]c2ccccc2)C(N=[N+]=[N-])[C@@H](C)[C@H]1O
InChIInChI=1S/C13H17N3O2Se/c1-8-11(15-16-14)13(18-9(2)12(8)17)19-10-6-4-3-5-7-10/h3-9,11-13,17H,1-2H3/t8-,9?,11?,12-,13-/m1/s1
InChIKeyHIMRAZYLJKHSIX-DTAGJMRGSA-N
XLogP1.44
TPSA78.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.26
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze (3R,4R,6R)-5-azido-2,4-dimethyl-6-phenylselanyloxan-3-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

(3R,4R,6R)-5-azido-2-methyl-6-phenylselanyloxane-3,4-diol
CID 140927632
(2R,3R,4R,5R,6R)-5-azido-6-(benzenesulfinyl)-2-methyloxane-3,4-diol
CID 56634870
[(4aR,6R,7S,8R,8aS)-7-azido-2-phenyl-6-phenylselanyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl] acetate
CID 10961745
(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
(3R,4R)-5-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methoxy-6-methyloxan-4-ol
CID 58679019
(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
(4,5-diacetyloxy-2-methyl-6-phenylselanyloxan-3-yl) acetate
CID 135078121
[(2R,3R,4R,5R,6S)-5-azido-4-hydroxy-2-methyl-6-phenylsulfanyloxan-3-yl] acetate
CID 71662360
[(2R,3S,4R,5S)-4-azido-6-(benzenesulfinyl)-5-hydroxy-2-methyloxan-3-yl] acetate
CID 101163260
(3R,4S,5R,6R)-5-azido-2-fluoro-6-methyl-3,4-bis(phenylmethoxy)oxane
CID 11057757
(4S,5S)-5-azido-4,6-dimethyloxan-3-ol
CID 157349847
(2R,3S,4R,5S)-4-azido-2-(hydroxymethyl)-5-methyloxolan-3-ol
CID 90445154

Frequently Asked Questions

What is the IUPAC name of (3R,4R,6R)-5-azido-2,4-dimethyl-6-phenylselanyloxan-3-ol?
The IUPAC name of (3R,4R,6R)-5-azido-2,4-dimethyl-6-phenylselanyloxan-3-ol (CID 158489350) is (3R,4R,6R)-5-azido-2,4-dimethyl-6-phenylselanyloxan-3-ol.
What is the SMILES notation for (3R,4R,6R)-5-azido-2,4-dimethyl-6-phenylselanyloxan-3-ol?
The canonical SMILES for (3R,4R,6R)-5-azido-2,4-dimethyl-6-phenylselanyloxan-3-ol is CC1O[C@H]([Se]c2ccccc2)C(N=[N+]=[N-])[C@@H](C)[C@H]1O.
What is the InChIKey of (3R,4R,6R)-5-azido-2,4-dimethyl-6-phenylselanyloxan-3-ol?
The InChIKey is HIMRAZYLJKHSIX-DTAGJMRGSA-N. The full InChI is InChI=1S/C13H17N3O2Se/c1-8-11(15-16-14)13(18-9(2)12(8)17)19-10-6-4-3-5-7-10/h3-9,11-13,17H,1-2H3/t8-,9?,11?,12-,13-/m1/s1.
What are the key properties of (3R,4R,6R)-5-azido-2,4-dimethyl-6-phenylselanyloxan-3-ol?
(3R,4R,6R)-5-azido-2,4-dimethyl-6-phenylselanyloxan-3-ol has a molecular weight of 326.26 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R,6R)-5-azido-2,4-dimethyl-6-phenylselanyloxan-3-ol is sourced from PubChem (CID 158489350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).