[(2R,3S,4R)-3-acetyloxy-2-(azidomethyl)-3,4-dihydro-2H-pyran-4-yl] acetate

C10H13N3O5 — CID 10978032

IUPAC[(2R,3S,4R)-3-acetyloxy-2-(azidomethyl)-3,4-dihydro-2H-pyran-4-yl] acetate
SMILESCC(=O)O[C@H]1[C@H](OC(C)=O)C=CO[C@@H]1CN=[N+]=[N-]
InChIInChI=1S/C10H13N3O5/c1-6(14)17-8-3-4-16-9(5-12-13-11)10(8)18-7(2)15/h3-4,8-10H,5H2,1-2H3/t8-,9-,10+/m1/s1
InChIKeyLFOOQDYGTWRGDP-BBBLOLIVSA-N
MW255.23 g/mol
LogP1.07
Rot. Bonds4

About [(2R,3S,4R)-3-acetyloxy-2-(azidomethyl)-3,4-dihydro-2H-pyran-4-yl] acetate

[(2R,3S,4R)-3-acetyloxy-2-(azidomethyl)-3,4-dihydro-2H-pyran-4-yl] acetate (PubChem CID 10978032) has the molecular formula C10H13N3O5 and a molecular weight of 255.23 g/mol. Its IUPAC name is [(2R,3S,4R)-3-acetyloxy-2-(azidomethyl)-3,4-dihydro-2H-pyran-4-yl] acetate.

Molecular Properties

Compound Name[(2R,3S,4R)-3-acetyloxy-2-(azidomethyl)-3,4-dihydro-2H-pyran-4-yl] acetate
PubChem CID10978032
Molecular FormulaC10H13N3O5
Molecular Weight255.23 g/mol
Exact Mass255.09
IUPAC Name[(2R,3S,4R)-3-acetyloxy-2-(azidomethyl)-3,4-dihydro-2H-pyran-4-yl] acetate
SMILESCC(=O)O[C@H]1[C@H](OC(C)=O)C=CO[C@@H]1CN=[N+]=[N-]
InChIInChI=1S/C10H13N3O5/c1-6(14)17-8-3-4-16-9(5-12-13-11)10(8)18-7(2)15/h3-4,8-10H,5H2,1-2H3/t8-,9-,10+/m1/s1
InChIKeyLFOOQDYGTWRGDP-BBBLOLIVSA-N
XLogP1.07
TPSA110.59 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.23
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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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Frequently Asked Questions

What is the IUPAC name of [(2R,3S,4R)-3-acetyloxy-2-(azidomethyl)-3,4-dihydro-2H-pyran-4-yl] acetate?
The IUPAC name of [(2R,3S,4R)-3-acetyloxy-2-(azidomethyl)-3,4-dihydro-2H-pyran-4-yl] acetate (CID 10978032) is [(2R,3S,4R)-3-acetyloxy-2-(azidomethyl)-3,4-dihydro-2H-pyran-4-yl] acetate.
What is the SMILES notation for [(2R,3S,4R)-3-acetyloxy-2-(azidomethyl)-3,4-dihydro-2H-pyran-4-yl] acetate?
The canonical SMILES for [(2R,3S,4R)-3-acetyloxy-2-(azidomethyl)-3,4-dihydro-2H-pyran-4-yl] acetate is CC(=O)O[C@H]1[C@H](OC(C)=O)C=CO[C@@H]1CN=[N+]=[N-].
What is the InChIKey of [(2R,3S,4R)-3-acetyloxy-2-(azidomethyl)-3,4-dihydro-2H-pyran-4-yl] acetate?
The InChIKey is LFOOQDYGTWRGDP-BBBLOLIVSA-N. The full InChI is InChI=1S/C10H13N3O5/c1-6(14)17-8-3-4-16-9(5-12-13-11)10(8)18-7(2)15/h3-4,8-10H,5H2,1-2H3/t8-,9-,10+/m1/s1.
What are the key properties of [(2R,3S,4R)-3-acetyloxy-2-(azidomethyl)-3,4-dihydro-2H-pyran-4-yl] acetate?
[(2R,3S,4R)-3-acetyloxy-2-(azidomethyl)-3,4-dihydro-2H-pyran-4-yl] acetate has a molecular weight of 255.23 g/mol, XLogP of 1.07, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S,4R)-3-acetyloxy-2-(azidomethyl)-3,4-dihydro-2H-pyran-4-yl] acetate is sourced from PubChem (CID 10978032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).