(2S,3S,4R)-4-azido-2-methyl-3-phenylmethoxy-3,4-dihydro-2H-pyran

C13H15N3O2 — CID 10955826

IUPAC(2S,3S,4R)-4-azido-2-methyl-3-phenylmethoxy-3,4-dihydro-2H-pyran
SMILESC[C@@H]1OC=C[C@@H](N=[N+]=[N-])[C@@H]1OCc1ccccc1
InChIInChI=1S/C13H15N3O2/c1-10-13(12(15-16-14)7-8-17-10)18-9-11-5-3-2-4-6-11/h2-8,10,12-13H,9H2,1H3/t10-,12+,13+/m0/s1
InChIKeyIPUIJPHCXMBRDM-CYZMBNFOSA-N
MW245.28 g/mol
LogP3.18
Rot. Bonds4

About (2S,3S,4R)-4-azido-2-methyl-3-phenylmethoxy-3,4-dihydro-2H-pyran

(2S,3S,4R)-4-azido-2-methyl-3-phenylmethoxy-3,4-dihydro-2H-pyran (PubChem CID 10955826) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is (2S,3S,4R)-4-azido-2-methyl-3-phenylmethoxy-3,4-dihydro-2H-pyran.

Molecular Properties

Compound Name(2S,3S,4R)-4-azido-2-methyl-3-phenylmethoxy-3,4-dihydro-2H-pyran
PubChem CID10955826
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name(2S,3S,4R)-4-azido-2-methyl-3-phenylmethoxy-3,4-dihydro-2H-pyran
SMILESC[C@@H]1OC=C[C@@H](N=[N+]=[N-])[C@@H]1OCc1ccccc1
InChIInChI=1S/C13H15N3O2/c1-10-13(12(15-16-14)7-8-17-10)18-9-11-5-3-2-4-6-11/h2-8,10,12-13H,9H2,1H3/t10-,12+,13+/m0/s1
InChIKeyIPUIJPHCXMBRDM-CYZMBNFOSA-N
XLogP3.18
TPSA67.22 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

(3R,4S,5R,6R)-5-azido-2-fluoro-6-methyl-3,4-bis(phenylmethoxy)oxane
CID 11057757
triethyl-[(2-methyl-3-phenylmethoxy-3,4-dihydro-2H-pyran-4-yl)oxy]silane
CID 59913106
(2R,3R,4R,5S,6S)-5-azido-2,3-dimethoxy-6-methyl-4-phenylmethoxyoxane
CID 101086007
(2R,3R,4R)-2,3-dimethyl-4-phenylmethoxy-3,4-dihydro-2H-pyran
CID 118517725
4-azido-2-methyl-3,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 3720438
[(2S,3R,4R)-2-methyl-3-phenylmethoxy-3,4-dihydro-2H-pyran-4-yl] benzoate
CID 10758317
[(3R,4R)-3,4-diazidocyclopentyl]oxymethylbenzene
CID 58822158
(2S,3R,5S,6R)-5-azido-2-methoxy-6-methyl-3-phenylmethoxyoxane
CID 101123036
(2S,3S)-2-methyl-3-phenylmethoxy-3,4-dihydro-2H-pyran
CID 102115662
2-(azidomethyl)-6-methyl-4,5-bis(phenylmethoxy)oxan-3-ol
CID 3702907
[2,3,4,5,6-pentakis(phenylmethoxy)cyclohexyl]oxymethylbenzene
CID 10747453
[(2R,3R,4R)-3,4-bis(phenylmethoxy)-3,4-dihydro-2H-pyran-2-yl]methanol
CID 11186428

Frequently Asked Questions

What is the IUPAC name of (2S,3S,4R)-4-azido-2-methyl-3-phenylmethoxy-3,4-dihydro-2H-pyran?
The IUPAC name of (2S,3S,4R)-4-azido-2-methyl-3-phenylmethoxy-3,4-dihydro-2H-pyran (CID 10955826) is (2S,3S,4R)-4-azido-2-methyl-3-phenylmethoxy-3,4-dihydro-2H-pyran.
What is the SMILES notation for (2S,3S,4R)-4-azido-2-methyl-3-phenylmethoxy-3,4-dihydro-2H-pyran?
The canonical SMILES for (2S,3S,4R)-4-azido-2-methyl-3-phenylmethoxy-3,4-dihydro-2H-pyran is C[C@@H]1OC=C[C@@H](N=[N+]=[N-])[C@@H]1OCc1ccccc1.
What is the InChIKey of (2S,3S,4R)-4-azido-2-methyl-3-phenylmethoxy-3,4-dihydro-2H-pyran?
The InChIKey is IPUIJPHCXMBRDM-CYZMBNFOSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-10-13(12(15-16-14)7-8-17-10)18-9-11-5-3-2-4-6-11/h2-8,10,12-13H,9H2,1H3/t10-,12+,13+/m0/s1.
What are the key properties of (2S,3S,4R)-4-azido-2-methyl-3-phenylmethoxy-3,4-dihydro-2H-pyran?
(2S,3S,4R)-4-azido-2-methyl-3-phenylmethoxy-3,4-dihydro-2H-pyran has a molecular weight of 245.28 g/mol, XLogP of 3.18, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4R)-4-azido-2-methyl-3-phenylmethoxy-3,4-dihydro-2H-pyran is sourced from PubChem (CID 10955826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).