(4R,5R)-5-[(1S)-1-azido-2-phenylethyl]-4-[(1R)-1-azido-2-phenylethyl]-2,2-dimethyl-1,3-dioxolane

C21H24N6O2 — CID 10763096

IUPAC(4R,5R)-5-[(1S)-1-azido-2-phenylethyl]-4-[(1R)-1-azido-2-phenylethyl]-2,2-dimethyl-1,3-dioxolane
SMILESCC1(C)O[C@H]([C@H](Cc2ccccc2)N=[N+]=[N-])[C@@H]([C@@H](Cc2ccccc2)N=[N+]=[N-])O1
InChIInChI=1S/C21H24N6O2/c1-21(2)28-19(17(24-26-22)13-15-9-5-3-6-10-15)20(29-21)18(25-27-23)14-16-11-7-4-8-12-16/h3-12,17-20H,13-14H2,1-2H3/t17-,18+,19-,20-/m1/s1
InChIKeyIOSMZOXYFPTHLA-IYWMVGAKSA-N
MW392.46 g/mol
LogP5.35
Rot. Bonds8

About (4R,5R)-5-[(1S)-1-azido-2-phenylethyl]-4-[(1R)-1-azido-2-phenylethyl]-2,2-dimethyl-1,3-dioxolane

(4R,5R)-5-[(1S)-1-azido-2-phenylethyl]-4-[(1R)-1-azido-2-phenylethyl]-2,2-dimethyl-1,3-dioxolane (PubChem CID 10763096) has the molecular formula C21H24N6O2 and a molecular weight of 392.46 g/mol. Its IUPAC name is (4R,5R)-5-[(1S)-1-azido-2-phenylethyl]-4-[(1R)-1-azido-2-phenylethyl]-2,2-dimethyl-1,3-dioxolane.

Molecular Properties

Compound Name(4R,5R)-5-[(1S)-1-azido-2-phenylethyl]-4-[(1R)-1-azido-2-phenylethyl]-2,2-dimethyl-1,3-dioxolane
PubChem CID10763096
Molecular FormulaC21H24N6O2
Molecular Weight392.46 g/mol
Exact Mass392.20
IUPAC Name(4R,5R)-5-[(1S)-1-azido-2-phenylethyl]-4-[(1R)-1-azido-2-phenylethyl]-2,2-dimethyl-1,3-dioxolane
SMILESCC1(C)O[C@H]([C@H](Cc2ccccc2)N=[N+]=[N-])[C@@H]([C@@H](Cc2ccccc2)N=[N+]=[N-])O1
InChIInChI=1S/C21H24N6O2/c1-21(2)28-19(17(24-26-22)13-15-9-5-3-6-10-15)20(29-21)18(25-27-23)14-16-11-7-4-8-12-16/h3-12,17-20H,13-14H2,1-2H3/t17-,18+,19-,20-/m1/s1
InChIKeyIOSMZOXYFPTHLA-IYWMVGAKSA-N
XLogP5.35
TPSA115.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.46
LogP ≤ 55.35
H-Bond Donors ≤ 50
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': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-azido-2-[(4S,5R)-2,2-dimethyl-5-(2-phenylethyl)-1,3-dioxolan-4-yl]ethanol
CID 91318607
(4S,5R)-4-[(1S)-2-azido-1-phenylmethoxyethyl]-5-ethenyl-2,2-dimethyl-1,3-dioxolane
CID 25067943
(4R,5S)-5-[(1R)-1-azidoethyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde
CID 134951596
(2S,3R,4S,5S,6R)-2-[(2S)-2-azido-2-[(4S,5R)-5-(dodecoxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]ethoxy]-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 25139986
[(2S)-2-azido-3-iodopropyl]benzene
CID 102473029
(2-azido-3,3-difluoropropyl)benzene
CID 151138482
2-[(2S)-2-azido-2-[(4S,5R)-2,2-dimethyl-5-pentyl-1,3-dioxolan-4-yl]ethoxy]-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 91344789
(3aR,5R,6S,6aR)-5-[(1S)-1-azido-2-trityloxyethyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol
CID 10994557
(2S,3R,4S,5S,6R)-2-[(2S)-2-azido-2-[(4S,5R)-2,2-dimethyl-5-[(Z)-tetradec-1-enyl]-1,3-dioxolan-4-yl]ethoxy]-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 71574061
(3aS,6R,6aS)-6-[(1R)-1-azido-2-[tert-butyl(diphenyl)silyl]oxyethyl]-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-one
CID 11123689
(3S)-3-azido-1-phenylheptan-2-amine
CID 90048248
(2S,3R,4S,5S,6R)-2-[(2S)-2-azido-2-[(4S,5R)-5-(2-butoxyethoxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]ethoxy]-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 25139854

Frequently Asked Questions

What is the IUPAC name of (4R,5R)-5-[(1S)-1-azido-2-phenylethyl]-4-[(1R)-1-azido-2-phenylethyl]-2,2-dimethyl-1,3-dioxolane?
The IUPAC name of (4R,5R)-5-[(1S)-1-azido-2-phenylethyl]-4-[(1R)-1-azido-2-phenylethyl]-2,2-dimethyl-1,3-dioxolane (CID 10763096) is (4R,5R)-5-[(1S)-1-azido-2-phenylethyl]-4-[(1R)-1-azido-2-phenylethyl]-2,2-dimethyl-1,3-dioxolane.
What is the SMILES notation for (4R,5R)-5-[(1S)-1-azido-2-phenylethyl]-4-[(1R)-1-azido-2-phenylethyl]-2,2-dimethyl-1,3-dioxolane?
The canonical SMILES for (4R,5R)-5-[(1S)-1-azido-2-phenylethyl]-4-[(1R)-1-azido-2-phenylethyl]-2,2-dimethyl-1,3-dioxolane is CC1(C)O[C@H]([C@H](Cc2ccccc2)N=[N+]=[N-])[C@@H]([C@@H](Cc2ccccc2)N=[N+]=[N-])O1.
What is the InChIKey of (4R,5R)-5-[(1S)-1-azido-2-phenylethyl]-4-[(1R)-1-azido-2-phenylethyl]-2,2-dimethyl-1,3-dioxolane?
The InChIKey is IOSMZOXYFPTHLA-IYWMVGAKSA-N. The full InChI is InChI=1S/C21H24N6O2/c1-21(2)28-19(17(24-26-22)13-15-9-5-3-6-10-15)20(29-21)18(25-27-23)14-16-11-7-4-8-12-16/h3-12,17-20H,13-14H2,1-2H3/t17-,18+,19-,20-/m1/s1.
What are the key properties of (4R,5R)-5-[(1S)-1-azido-2-phenylethyl]-4-[(1R)-1-azido-2-phenylethyl]-2,2-dimethyl-1,3-dioxolane?
(4R,5R)-5-[(1S)-1-azido-2-phenylethyl]-4-[(1R)-1-azido-2-phenylethyl]-2,2-dimethyl-1,3-dioxolane has a molecular weight of 392.46 g/mol, XLogP of 5.35, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-5-[(1S)-1-azido-2-phenylethyl]-4-[(1R)-1-azido-2-phenylethyl]-2,2-dimethyl-1,3-dioxolane is sourced from PubChem (CID 10763096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).