(2R,3S,4R,5R,6S)-5-azido-3,4-dimethoxy-2-(methoxymethyl)-6-phenylselanyloxane

C15H21N3O4Se — CID 134895099

IUPAC(2R,3S,4R,5R,6S)-5-azido-3,4-dimethoxy-2-(methoxymethyl)-6-phenylselanyloxane
SMILESCOC[C@H]1O[C@@H]([Se]c2ccccc2)[C@H](N=[N+]=[N-])[C@@H](OC)[C@@H]1OC
InChIInChI=1S/C15H21N3O4Se/c1-19-9-11-13(20-2)14(21-3)12(17-18-16)15(22-11)23-10-7-5-4-6-8-10/h4-8,11-15H,9H2,1-3H3/t11-,12-,13-,14-,15+/m1/s1
InChIKeyRSBCEYAMJGTQII-RYPNDVFKSA-N
MW386.31 g/mol
LogP1.10
Rot. Bonds7

About (2R,3S,4R,5R,6S)-5-azido-3,4-dimethoxy-2-(methoxymethyl)-6-phenylselanyloxane

(2R,3S,4R,5R,6S)-5-azido-3,4-dimethoxy-2-(methoxymethyl)-6-phenylselanyloxane (PubChem CID 134895099) has the molecular formula C15H21N3O4Se and a molecular weight of 386.31 g/mol. Its IUPAC name is (2R,3S,4R,5R,6S)-5-azido-3,4-dimethoxy-2-(methoxymethyl)-6-phenylselanyloxane.

Molecular Properties

Compound Name(2R,3S,4R,5R,6S)-5-azido-3,4-dimethoxy-2-(methoxymethyl)-6-phenylselanyloxane
PubChem CID134895099
Molecular FormulaC15H21N3O4Se
Molecular Weight386.31 g/mol
Exact Mass387.07
IUPAC Name(2R,3S,4R,5R,6S)-5-azido-3,4-dimethoxy-2-(methoxymethyl)-6-phenylselanyloxane
SMILESCOC[C@H]1O[C@@H]([Se]c2ccccc2)[C@H](N=[N+]=[N-])[C@@H](OC)[C@@H]1OC
InChIInChI=1S/C15H21N3O4Se/c1-19-9-11-13(20-2)14(21-3)12(17-18-16)15(22-11)23-10-7-5-4-6-8-10/h4-8,11-15H,9H2,1-3H3/t11-,12-,13-,14-,15+/m1/s1
InChIKeyRSBCEYAMJGTQII-RYPNDVFKSA-N
XLogP1.10
TPSA85.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.31
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 (2R,3S,4R,5R,6S)-5-azido-3,4-dimethoxy-2-(methoxymethyl)-6-phenylselanyloxane with MolForge

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Related Compounds

phenyl 3,4,6-tri-O-acetyl-2-azido-2-deoxy-1-seleno-alpha-d-glucopyranoside
CID 101651949
(2R,3S,4R,5R,6R)-5-azido-3,4-dimethoxy-2-(methoxymethyl)-6-phenylselanyloxane
CID 10861980
phenyl 3,4,6-tri-O-acetyl-2-azido-2-deoxy-1-seleno-alpha-d-manno-pyranoside
CID 101651950
[(3S,6R)-4-acetyloxy-5-azido-2-methyl-6-phenylselanyloxan-3-yl] acetate
CID 134864121
Phenyl 2-azido-2-deoxy-1-seleno-alpha-d-mannopyranoside
CID 167993277
[(2S,3S,4S,5R,6S)-4-acetyloxy-5-azido-2-methyl-6-phenylselanyloxan-3-yl] acetate
CID 101651944
[(2R,3S,4S,5S,6R)-3,4-diacetyloxy-5-azido-6-phenylselanyloxan-2-yl]methyl acetate
CID 101651948
Phenyl 2-azido-2-deoxy-1-seleno-alpha-D-galactopyranoside
CID 10246874
Phenyl seleno-2-azido-3,4,6-tri-O-acetyl-alpha-D-galactopyranoside
CID 10939616
[(2S,3S,4S,5S,6S)-3,4-diacetyloxy-5-azido-6-phenylselanyloxan-2-yl]methyl acetate
CID 11784679
CID 58676527
CID 58676527
[(3R,4R)-5-azido-3,4-dimethoxy-6-methyloxan-2-yl]methoxy-tert-butyl-diphenylsilane
CID 58678939

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R,5R,6S)-5-azido-3,4-dimethoxy-2-(methoxymethyl)-6-phenylselanyloxane?
The IUPAC name of (2R,3S,4R,5R,6S)-5-azido-3,4-dimethoxy-2-(methoxymethyl)-6-phenylselanyloxane (CID 134895099) is (2R,3S,4R,5R,6S)-5-azido-3,4-dimethoxy-2-(methoxymethyl)-6-phenylselanyloxane.
What is the SMILES notation for (2R,3S,4R,5R,6S)-5-azido-3,4-dimethoxy-2-(methoxymethyl)-6-phenylselanyloxane?
The canonical SMILES for (2R,3S,4R,5R,6S)-5-azido-3,4-dimethoxy-2-(methoxymethyl)-6-phenylselanyloxane is COC[C@H]1O[C@@H]([Se]c2ccccc2)[C@H](N=[N+]=[N-])[C@@H](OC)[C@@H]1OC.
What is the InChIKey of (2R,3S,4R,5R,6S)-5-azido-3,4-dimethoxy-2-(methoxymethyl)-6-phenylselanyloxane?
The InChIKey is RSBCEYAMJGTQII-RYPNDVFKSA-N. The full InChI is InChI=1S/C15H21N3O4Se/c1-19-9-11-13(20-2)14(21-3)12(17-18-16)15(22-11)23-10-7-5-4-6-8-10/h4-8,11-15H,9H2,1-3H3/t11-,12-,13-,14-,15+/m1/s1.
What are the key properties of (2R,3S,4R,5R,6S)-5-azido-3,4-dimethoxy-2-(methoxymethyl)-6-phenylselanyloxane?
(2R,3S,4R,5R,6S)-5-azido-3,4-dimethoxy-2-(methoxymethyl)-6-phenylselanyloxane has a molecular weight of 386.31 g/mol, XLogP of 1.10, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R,5R,6S)-5-azido-3,4-dimethoxy-2-(methoxymethyl)-6-phenylselanyloxane is sourced from PubChem (CID 134895099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).