(2S,3R)-3-azido-5-methoxy-2-(trityloxymethyl)oxolane

C25H25N3O3 — CID 23251731

IUPAC(2S,3R)-3-azido-5-methoxy-2-(trityloxymethyl)oxolane
SMILESCOC1C[C@@H](N=[N+]=[N-])[C@@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)O1
InChIInChI=1S/C25H25N3O3/c1-29-24-17-22(27-28-26)23(31-24)18-30-25(19-11-5-2-6-12-19,20-13-7-3-8-14-20)21-15-9-4-10-16-21/h2-16,22-24H,17-18H2,1H3/t22-,23-,24?/m1/s1
InChIKeyRQVIIEVILWLASM-YOQGVNIDSA-N
MW415.49 g/mol
LogP5.44
Rot. Bonds8

About (2S,3R)-3-azido-5-methoxy-2-(trityloxymethyl)oxolane

(2S,3R)-3-azido-5-methoxy-2-(trityloxymethyl)oxolane (PubChem CID 23251731) has the molecular formula C25H25N3O3 and a molecular weight of 415.49 g/mol. Its IUPAC name is (2S,3R)-3-azido-5-methoxy-2-(trityloxymethyl)oxolane.

Molecular Properties

Compound Name(2S,3R)-3-azido-5-methoxy-2-(trityloxymethyl)oxolane
PubChem CID23251731
Molecular FormulaC25H25N3O3
Molecular Weight415.49 g/mol
Exact Mass415.19
IUPAC Name(2S,3R)-3-azido-5-methoxy-2-(trityloxymethyl)oxolane
SMILESCOC1C[C@@H](N=[N+]=[N-])[C@@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)O1
InChIInChI=1S/C25H25N3O3/c1-29-24-17-22(27-28-26)23(31-24)18-30-25(19-11-5-2-6-12-19,20-13-7-3-8-14-20)21-15-9-4-10-16-21/h2-16,22-24H,17-18H2,1H3/t22-,23-,24?/m1/s1
InChIKeyRQVIIEVILWLASM-YOQGVNIDSA-N
XLogP5.44
TPSA76.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.49
LogP ≤ 55.44
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'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

(2R,3S,4R,6S)-6-methoxy-2-(trityloxymethyl)oxane-3,4-diol
CID 11811858
1-[4-azido-5-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]oxolan-2-yl]-5-methyl-1,3-diazinane-2,4-dione
CID 73164032
[5-azido-3-benzoyloxy-2-methoxy-6-(trityloxymethyl)oxan-4-yl] benzoate
CID 4294802
[(2R,3R,6R)-6-azido-2-(trityloxymethyl)-3,6-dihydro-2H-pyran-3-yl]oxy-trimethylsilane
CID 11409136
(2S,3S,5R,6S)-2-methoxy-3,5-dimethyl-6-(trityloxymethyl)oxane
CID 134878021
(2R,6R)-2-methoxy-6-(trityloxymethyl)oxane
CID 56627536
(2S,4S,5R)-5-(trityloxymethyl)oxolane-2,4-diol
CID 171126516
2-methoxy-5-(trityloxymethyl)oxolane-3,4-diol
CID 618218
(2S,3R,4S,5R)-2-methoxy-5-(trityloxymethyl)oxolane-3,4-diol
CID 70409526
[(2R,3S)-5-acetyloxy-2-(trityloxymethyl)oxolan-3-yl] acetate
CID 102461653
(2S,3R,4R,5S,6S)-2-methoxy-6-(trityloxymethyl)oxane-3,4,5-triol
CID 7332588
(2R,3R,5R)-2-methoxy-5-(trityloxymethyl)oxolan-3-ol
CID 178184681

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-azido-5-methoxy-2-(trityloxymethyl)oxolane?
The IUPAC name of (2S,3R)-3-azido-5-methoxy-2-(trityloxymethyl)oxolane (CID 23251731) is (2S,3R)-3-azido-5-methoxy-2-(trityloxymethyl)oxolane.
What is the SMILES notation for (2S,3R)-3-azido-5-methoxy-2-(trityloxymethyl)oxolane?
The canonical SMILES for (2S,3R)-3-azido-5-methoxy-2-(trityloxymethyl)oxolane is COC1C[C@@H](N=[N+]=[N-])[C@@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)O1.
What is the InChIKey of (2S,3R)-3-azido-5-methoxy-2-(trityloxymethyl)oxolane?
The InChIKey is RQVIIEVILWLASM-YOQGVNIDSA-N. The full InChI is InChI=1S/C25H25N3O3/c1-29-24-17-22(27-28-26)23(31-24)18-30-25(19-11-5-2-6-12-19,20-13-7-3-8-14-20)21-15-9-4-10-16-21/h2-16,22-24H,17-18H2,1H3/t22-,23-,24?/m1/s1.
What are the key properties of (2S,3R)-3-azido-5-methoxy-2-(trityloxymethyl)oxolane?
(2S,3R)-3-azido-5-methoxy-2-(trityloxymethyl)oxolane has a molecular weight of 415.49 g/mol, XLogP of 5.44, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-azido-5-methoxy-2-(trityloxymethyl)oxolane is sourced from PubChem (CID 23251731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).