[(2R,3S,4R,5R,6S)-5-azido-3-hydroxy-4-phenylmethoxy-6-prop-2-enoxyoxan-2-yl]methyl acetate

C18H23N3O6 — CID 11783749

IUPAC[(2R,3S,4R,5R,6S)-5-azido-3-hydroxy-4-phenylmethoxy-6-prop-2-enoxyoxan-2-yl]methyl acetate
SMILESC=CCO[C@H]1O[C@H](COC(C)=O)[C@@H](O)[C@H](OCc2ccccc2)[C@H]1N=[N+]=[N-]
InChIInChI=1S/C18H23N3O6/c1-3-9-24-18-15(20-21-19)17(26-10-13-7-5-4-6-8-13)16(23)14(27-18)11-25-12(2)22/h3-8,14-18,23H,1,9-11H2,2H3/t14-,15-,16-,17-,18+/m1/s1
InChIKeyPUKPAMYDPDCMCI-ZKXLYKBJSA-N
MW377.40 g/mol
LogP2.10
Rot. Bonds9

About [(2R,3S,4R,5R,6S)-5-azido-3-hydroxy-4-phenylmethoxy-6-prop-2-enoxyoxan-2-yl]methyl acetate

[(2R,3S,4R,5R,6S)-5-azido-3-hydroxy-4-phenylmethoxy-6-prop-2-enoxyoxan-2-yl]methyl acetate (PubChem CID 11783749) has the molecular formula C18H23N3O6 and a molecular weight of 377.40 g/mol. Its IUPAC name is [(2R,3S,4R,5R,6S)-5-azido-3-hydroxy-4-phenylmethoxy-6-prop-2-enoxyoxan-2-yl]methyl acetate.

Molecular Properties

Compound Name[(2R,3S,4R,5R,6S)-5-azido-3-hydroxy-4-phenylmethoxy-6-prop-2-enoxyoxan-2-yl]methyl acetate
PubChem CID11783749
Molecular FormulaC18H23N3O6
Molecular Weight377.40 g/mol
Exact Mass377.16
IUPAC Name[(2R,3S,4R,5R,6S)-5-azido-3-hydroxy-4-phenylmethoxy-6-prop-2-enoxyoxan-2-yl]methyl acetate
SMILESC=CCO[C@H]1O[C@H](COC(C)=O)[C@@H](O)[C@H](OCc2ccccc2)[C@H]1N=[N+]=[N-]
InChIInChI=1S/C18H23N3O6/c1-3-9-24-18-15(20-21-19)17(26-10-13-7-5-4-6-8-13)16(23)14(27-18)11-25-12(2)22/h3-8,14-18,23H,1,9-11H2,2H3/t14-,15-,16-,17-,18+/m1/s1
InChIKeyPUKPAMYDPDCMCI-ZKXLYKBJSA-N
XLogP2.10
TPSA122.98 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze [(2R,3S,4R,5R,6S)-5-azido-3-hydroxy-4-phenylmethoxy-6-prop-2-enoxyoxan-2-yl]methyl 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,3S,4R,5R,6S)-5-azido-3-hydroxy-4-phenylmethoxy-6-prop-2-enoxyoxan-2-yl]methyl acetate?
The IUPAC name of [(2R,3S,4R,5R,6S)-5-azido-3-hydroxy-4-phenylmethoxy-6-prop-2-enoxyoxan-2-yl]methyl acetate (CID 11783749) is [(2R,3S,4R,5R,6S)-5-azido-3-hydroxy-4-phenylmethoxy-6-prop-2-enoxyoxan-2-yl]methyl acetate.
What is the SMILES notation for [(2R,3S,4R,5R,6S)-5-azido-3-hydroxy-4-phenylmethoxy-6-prop-2-enoxyoxan-2-yl]methyl acetate?
The canonical SMILES for [(2R,3S,4R,5R,6S)-5-azido-3-hydroxy-4-phenylmethoxy-6-prop-2-enoxyoxan-2-yl]methyl acetate is C=CCO[C@H]1O[C@H](COC(C)=O)[C@@H](O)[C@H](OCc2ccccc2)[C@H]1N=[N+]=[N-].
What is the InChIKey of [(2R,3S,4R,5R,6S)-5-azido-3-hydroxy-4-phenylmethoxy-6-prop-2-enoxyoxan-2-yl]methyl acetate?
The InChIKey is PUKPAMYDPDCMCI-ZKXLYKBJSA-N. The full InChI is InChI=1S/C18H23N3O6/c1-3-9-24-18-15(20-21-19)17(26-10-13-7-5-4-6-8-13)16(23)14(27-18)11-25-12(2)22/h3-8,14-18,23H,1,9-11H2,2H3/t14-,15-,16-,17-,18+/m1/s1.
What are the key properties of [(2R,3S,4R,5R,6S)-5-azido-3-hydroxy-4-phenylmethoxy-6-prop-2-enoxyoxan-2-yl]methyl acetate?
[(2R,3S,4R,5R,6S)-5-azido-3-hydroxy-4-phenylmethoxy-6-prop-2-enoxyoxan-2-yl]methyl acetate has a molecular weight of 377.40 g/mol, XLogP of 2.10, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S,4R,5R,6S)-5-azido-3-hydroxy-4-phenylmethoxy-6-prop-2-enoxyoxan-2-yl]methyl acetate is sourced from PubChem (CID 11783749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).