(3R,4R,6R)-5-azido-2-methyl-6-phenylselanyloxane-3,4-diol

C12H15N3O3Se — CID 140927632

IUPAC(3R,4R,6R)-5-azido-2-methyl-6-phenylselanyloxane-3,4-diol
SMILESCC1O[C@H]([Se]c2ccccc2)C(N=[N+]=[N-])[C@@H](O)[C@H]1O
InChIInChI=1S/C12H15N3O3Se/c1-7-10(16)11(17)9(14-15-13)12(18-7)19-8-5-3-2-4-6-8/h2-7,9-12,16-17H,1H3/t7?,9?,10-,11+,12+/m0/s1
InChIKeySYMOBVZHOVDMLR-GWJSKMPTSA-N
MW328.23 g/mol
LogP0.16
Rot. Bonds3

About (3R,4R,6R)-5-azido-2-methyl-6-phenylselanyloxane-3,4-diol

(3R,4R,6R)-5-azido-2-methyl-6-phenylselanyloxane-3,4-diol (PubChem CID 140927632) has the molecular formula C12H15N3O3Se and a molecular weight of 328.23 g/mol. Its IUPAC name is (3R,4R,6R)-5-azido-2-methyl-6-phenylselanyloxane-3,4-diol.

Molecular Properties

Compound Name(3R,4R,6R)-5-azido-2-methyl-6-phenylselanyloxane-3,4-diol
PubChem CID140927632
Molecular FormulaC12H15N3O3Se
Molecular Weight328.23 g/mol
Exact Mass329.03
IUPAC Name(3R,4R,6R)-5-azido-2-methyl-6-phenylselanyloxane-3,4-diol
SMILESCC1O[C@H]([Se]c2ccccc2)C(N=[N+]=[N-])[C@@H](O)[C@H]1O
InChIInChI=1S/C12H15N3O3Se/c1-7-10(16)11(17)9(14-15-13)12(18-7)19-8-5-3-2-4-6-8/h2-7,9-12,16-17H,1H3/t7?,9?,10-,11+,12+/m0/s1
InChIKeySYMOBVZHOVDMLR-GWJSKMPTSA-N
XLogP0.16
TPSA98.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.23
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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'}

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Related Compounds

(2R,3S,4R,5R,6R)-5-azido-3,4-dimethoxy-2-(methoxymethyl)-6-phenylselanyloxane
CID 10861980
[(3S,6R)-4-acetyloxy-5-azido-2-methyl-6-phenylselanyloxan-3-yl] acetate
CID 134864121
(2R,3S,4R,5R,6S)-5-azido-3,4-dimethoxy-2-(methoxymethyl)-6-phenylselanyloxane
CID 134895099
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
Phenyl 2-azido-2-deoxy-1-seleno-alpha-D-galactopyranoside
CID 10246874
phenyl 2-azido-2,6-dideoxy-1-thio-L-galactopyranoside
CID 21970483
(2R,3R,4R,5S,6S)-5-azido-2-methyl-6-phenylsulfanyloxane-3,4-diol
CID 57112431
CID 58676527
CID 58676527
CID 90971491
CID 90971491
(2S,3S,4S,5S,6S)-5-azido-2-methyl-6-phenylsulfanyloxane-3,4-diol
CID 140407472
Phenyl 2-azido-2,6-dideoxy-1-seleno-alpha-D-galactopyranoside
CID 140927654

Frequently Asked Questions

What is the IUPAC name of (3R,4R,6R)-5-azido-2-methyl-6-phenylselanyloxane-3,4-diol?
The IUPAC name of (3R,4R,6R)-5-azido-2-methyl-6-phenylselanyloxane-3,4-diol (CID 140927632) is (3R,4R,6R)-5-azido-2-methyl-6-phenylselanyloxane-3,4-diol.
What is the SMILES notation for (3R,4R,6R)-5-azido-2-methyl-6-phenylselanyloxane-3,4-diol?
The canonical SMILES for (3R,4R,6R)-5-azido-2-methyl-6-phenylselanyloxane-3,4-diol is CC1O[C@H]([Se]c2ccccc2)C(N=[N+]=[N-])[C@@H](O)[C@H]1O.
What is the InChIKey of (3R,4R,6R)-5-azido-2-methyl-6-phenylselanyloxane-3,4-diol?
The InChIKey is SYMOBVZHOVDMLR-GWJSKMPTSA-N. The full InChI is InChI=1S/C12H15N3O3Se/c1-7-10(16)11(17)9(14-15-13)12(18-7)19-8-5-3-2-4-6-8/h2-7,9-12,16-17H,1H3/t7?,9?,10-,11+,12+/m0/s1.
What are the key properties of (3R,4R,6R)-5-azido-2-methyl-6-phenylselanyloxane-3,4-diol?
(3R,4R,6R)-5-azido-2-methyl-6-phenylselanyloxane-3,4-diol has a molecular weight of 328.23 g/mol, XLogP of 0.16, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R,6R)-5-azido-2-methyl-6-phenylselanyloxane-3,4-diol is sourced from PubChem (CID 140927632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).