(2S)-5-azido-2-(phenylmethoxymethyl)oxan-4-ol

C13H17N3O3 — CID 46862805

IUPAC(2S)-5-azido-2-(phenylmethoxymethyl)oxan-4-ol
SMILES[N-]=[N+]=NC1CO[C@H](COCc2ccccc2)CC1O
InChIInChI=1S/C13H17N3O3/c14-16-15-12-9-19-11(6-13(12)17)8-18-7-10-4-2-1-3-5-10/h1-5,11-13,17H,6-9H2/t11-,12?,13?/m0/s1
InChIKeyXVRUDVXINHBYJU-HIFPTAJRSA-N
MW263.30 g/mol
LogP2.03
Rot. Bonds5

About (2S)-5-azido-2-(phenylmethoxymethyl)oxan-4-ol

(2S)-5-azido-2-(phenylmethoxymethyl)oxan-4-ol (PubChem CID 46862805) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is (2S)-5-azido-2-(phenylmethoxymethyl)oxan-4-ol.

Molecular Properties

Compound Name(2S)-5-azido-2-(phenylmethoxymethyl)oxan-4-ol
PubChem CID46862805
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name(2S)-5-azido-2-(phenylmethoxymethyl)oxan-4-ol
SMILES[N-]=[N+]=NC1CO[C@H](COCc2ccccc2)CC1O
InChIInChI=1S/C13H17N3O3/c14-16-15-12-9-19-11(6-13(12)17)8-18-7-10-4-2-1-3-5-10/h1-5,11-13,17H,6-9H2/t11-,12?,13?/m0/s1
InChIKeyXVRUDVXINHBYJU-HIFPTAJRSA-N
XLogP2.03
TPSA87.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 52.03
H-Bond Donors ≤ 51
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'}

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Related Compounds

[(2S)-5-azido-2-(phenylmethoxymethyl)oxan-4-yl] methanesulfonate
CID 101407936
(2R,4R,5R)-5-ethyl-2-(phenylmethoxymethyl)oxan-4-ol
CID 24764148
[(1S,2S,3S,5R,6R)-3-azido-2,6-bis(phenylmethoxy)-5-(phenylmethoxymethyl)cyclohexyl]oxymethylbenzene
CID 10507155
(2R,4R)-4-bromo-2-(phenylmethoxymethyl)oxolane
CID 11086853
(3-azidocyclobutyl)methoxymethylbenzene
CID 86035077
[(3R,4R)-3,4-diazidocyclopentyl]oxymethylbenzene
CID 58822158
3-azido-1-(phenylmethoxymethyl)-6-oxabicyclo[3.2.0]heptan-4-ol
CID 134867249
benzyl N-(3-azido-4-hydroxycyclohexyl)carbamate
CID 171775824
(6S)-4-phenylmethoxy-6-(phenylmethoxymethyl)oxan-2-ol
CID 146358765
(2R)-2-(phenylmethoxymethoxymethyl)oxirane
CID 129387534
oxolane;(2R)-2-(phenylmethoxymethyl)oxirane
CID 175076963
(2R,3R,4R,5R,6R)-4-azido-5,6-dimethoxy-2-(phenylmethoxymethyl)oxan-3-ol
CID 10448864

Frequently Asked Questions

What is the IUPAC name of (2S)-5-azido-2-(phenylmethoxymethyl)oxan-4-ol?
The IUPAC name of (2S)-5-azido-2-(phenylmethoxymethyl)oxan-4-ol (CID 46862805) is (2S)-5-azido-2-(phenylmethoxymethyl)oxan-4-ol.
What is the SMILES notation for (2S)-5-azido-2-(phenylmethoxymethyl)oxan-4-ol?
The canonical SMILES for (2S)-5-azido-2-(phenylmethoxymethyl)oxan-4-ol is [N-]=[N+]=NC1CO[C@H](COCc2ccccc2)CC1O.
What is the InChIKey of (2S)-5-azido-2-(phenylmethoxymethyl)oxan-4-ol?
The InChIKey is XVRUDVXINHBYJU-HIFPTAJRSA-N. The full InChI is InChI=1S/C13H17N3O3/c14-16-15-12-9-19-11(6-13(12)17)8-18-7-10-4-2-1-3-5-10/h1-5,11-13,17H,6-9H2/t11-,12?,13?/m0/s1.
What are the key properties of (2S)-5-azido-2-(phenylmethoxymethyl)oxan-4-ol?
(2S)-5-azido-2-(phenylmethoxymethyl)oxan-4-ol has a molecular weight of 263.30 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-azido-2-(phenylmethoxymethyl)oxan-4-ol is sourced from PubChem (CID 46862805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).