[(2R,3R,4R,5S,6S)-4,5-diacetyloxy-2-(azidomethyl)-6-ethenyloxan-3-yl] acetate

C14H19N3O7 — CID 102207323

IUPAC[(2R,3R,4R,5S,6S)-4,5-diacetyloxy-2-(azidomethyl)-6-ethenyloxan-3-yl] acetate
SMILESC=C[C@@H]1O[C@H](CN=[N+]=[N-])[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O
InChIInChI=1S/C14H19N3O7/c1-5-10-12(21-7(2)18)14(23-9(4)20)13(22-8(3)19)11(24-10)6-16-17-15/h5,10-14H,1,6H2,2-4H3/t10-,11+,12-,13+,14+/m0/s1
InChIKeyQNBSFRGAKLDPAC-MEBFFEOJSA-N
MW341.32 g/mol
LogP1.05
Rot. Bonds6

About [(2R,3R,4R,5S,6S)-4,5-diacetyloxy-2-(azidomethyl)-6-ethenyloxan-3-yl] acetate

[(2R,3R,4R,5S,6S)-4,5-diacetyloxy-2-(azidomethyl)-6-ethenyloxan-3-yl] acetate (PubChem CID 102207323) has the molecular formula C14H19N3O7 and a molecular weight of 341.32 g/mol. Its IUPAC name is [(2R,3R,4R,5S,6S)-4,5-diacetyloxy-2-(azidomethyl)-6-ethenyloxan-3-yl] acetate.

Molecular Properties

Compound Name[(2R,3R,4R,5S,6S)-4,5-diacetyloxy-2-(azidomethyl)-6-ethenyloxan-3-yl] acetate
PubChem CID102207323
Molecular FormulaC14H19N3O7
Molecular Weight341.32 g/mol
Exact Mass341.12
IUPAC Name[(2R,3R,4R,5S,6S)-4,5-diacetyloxy-2-(azidomethyl)-6-ethenyloxan-3-yl] acetate
SMILESC=C[C@@H]1O[C@H](CN=[N+]=[N-])[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O
InChIInChI=1S/C14H19N3O7/c1-5-10-12(21-7(2)18)14(23-9(4)20)13(22-8(3)19)11(24-10)6-16-17-15/h5,10-14H,1,6H2,2-4H3/t10-,11+,12-,13+,14+/m0/s1
InChIKeyQNBSFRGAKLDPAC-MEBFFEOJSA-N
XLogP1.05
TPSA136.89 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.32
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze [(2R,3R,4R,5S,6S)-4,5-diacetyloxy-2-(azidomethyl)-6-ethenyloxan-3-yl] acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(2R,3R,4R,5S,6S)-4,5-diacetyloxy-2-(azidomethyl)-6-ethenyloxan-3-yl] acetate?
The IUPAC name of [(2R,3R,4R,5S,6S)-4,5-diacetyloxy-2-(azidomethyl)-6-ethenyloxan-3-yl] acetate (CID 102207323) is [(2R,3R,4R,5S,6S)-4,5-diacetyloxy-2-(azidomethyl)-6-ethenyloxan-3-yl] acetate.
What is the SMILES notation for [(2R,3R,4R,5S,6S)-4,5-diacetyloxy-2-(azidomethyl)-6-ethenyloxan-3-yl] acetate?
The canonical SMILES for [(2R,3R,4R,5S,6S)-4,5-diacetyloxy-2-(azidomethyl)-6-ethenyloxan-3-yl] acetate is C=C[C@@H]1O[C@H](CN=[N+]=[N-])[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O.
What is the InChIKey of [(2R,3R,4R,5S,6S)-4,5-diacetyloxy-2-(azidomethyl)-6-ethenyloxan-3-yl] acetate?
The InChIKey is QNBSFRGAKLDPAC-MEBFFEOJSA-N. The full InChI is InChI=1S/C14H19N3O7/c1-5-10-12(21-7(2)18)14(23-9(4)20)13(22-8(3)19)11(24-10)6-16-17-15/h5,10-14H,1,6H2,2-4H3/t10-,11+,12-,13+,14+/m0/s1.
What are the key properties of [(2R,3R,4R,5S,6S)-4,5-diacetyloxy-2-(azidomethyl)-6-ethenyloxan-3-yl] acetate?
[(2R,3R,4R,5S,6S)-4,5-diacetyloxy-2-(azidomethyl)-6-ethenyloxan-3-yl] acetate has a molecular weight of 341.32 g/mol, XLogP of 1.05, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R,4R,5S,6S)-4,5-diacetyloxy-2-(azidomethyl)-6-ethenyloxan-3-yl] acetate is sourced from PubChem (CID 102207323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).