2-(azidomethyl)-6-methyl-4,5-bis(phenylmethoxy)oxan-3-ol

C21H25N3O4 — CID 3702907

IUPAC2-(azidomethyl)-6-methyl-4,5-bis(phenylmethoxy)oxan-3-ol
SMILESCC1OC(CN=[N+]=[N-])C(O)C(OCc2ccccc2)C1OCc1ccccc1
InChIInChI=1S/C21H25N3O4/c1-15-20(26-13-16-8-4-2-5-9-16)21(19(25)18(28-15)12-23-24-22)27-14-17-10-6-3-7-11-17/h2-11,15,18-21,25H,12-14H2,1H3
InChIKeySQRIVMCHUZEJPL-UHFFFAOYSA-N
MW383.45 g/mol
LogP3.62
Rot. Bonds8

About 2-(azidomethyl)-6-methyl-4,5-bis(phenylmethoxy)oxan-3-ol

2-(azidomethyl)-6-methyl-4,5-bis(phenylmethoxy)oxan-3-ol (PubChem CID 3702907) has the molecular formula C21H25N3O4 and a molecular weight of 383.45 g/mol. Its IUPAC name is 2-(azidomethyl)-6-methyl-4,5-bis(phenylmethoxy)oxan-3-ol.

Molecular Properties

Compound Name2-(azidomethyl)-6-methyl-4,5-bis(phenylmethoxy)oxan-3-ol
PubChem CID3702907
Molecular FormulaC21H25N3O4
Molecular Weight383.45 g/mol
Exact Mass383.18
IUPAC Name2-(azidomethyl)-6-methyl-4,5-bis(phenylmethoxy)oxan-3-ol
SMILESCC1OC(CN=[N+]=[N-])C(O)C(OCc2ccccc2)C1OCc1ccccc1
InChIInChI=1S/C21H25N3O4/c1-15-20(26-13-16-8-4-2-5-9-16)21(19(25)18(28-15)12-23-24-22)27-14-17-10-6-3-7-11-17/h2-11,15,18-21,25H,12-14H2,1H3
InChIKeySQRIVMCHUZEJPL-UHFFFAOYSA-N
XLogP3.62
TPSA96.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

(2R,3R,4S,5R)-2-(hydroxymethyl)-5-methyl-4-phenylmethoxyoxolan-3-ol
CID 58747870
[(2S,3S,4R,5S,6S)-6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]methanol
CID 170405483
[(2R,3R,4S,5R,6R)-6-(azidomethyl)-3,4,5-tris(phenylmethoxy)oxan-2-yl] acetate
CID 46894843
2-(azidomethyl)-3,4,5,6-tetrakis(phenylmethoxy)oxane
CID 22088767
(2S,3R,4S,5S,6S)-2-methoxy-6-methyl-4,5-bis(phenylmethoxy)oxan-3-ol
CID 10808327
2-[(hydroxyamino)methyl]-6-methyl-3,5-bis(phenylmethoxy)oxan-4-ol
CID 130316142
(3R,4R,5R,6R)-2-azido-6-(hydroxymethyl)-4,5-bis(phenylmethoxy)oxan-3-ol
CID 122206664
(2S,3S,5S)-2,6-dimethyl-4-phenylmethoxyoxane-3,5-diol
CID 167585367
(2R,3R,4S,5R,6S)-4-[[2-(azidomethyl)phenyl]methoxy]-2-(hydroxymethyl)-6-methoxy-5-phenylmethoxyoxan-3-ol
CID 59052221
(3S,4S,6S)-4,6-dimethyl-5-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-ol
CID 126550257
4-azido-2-methyl-3,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 3720438
(2S,4R,5R)-5-(1-azidoethyl)-2-methyl-4-phenylmethoxyoxolan-3-ol
CID 54266414

Frequently Asked Questions

What is the IUPAC name of 2-(azidomethyl)-6-methyl-4,5-bis(phenylmethoxy)oxan-3-ol?
The IUPAC name of 2-(azidomethyl)-6-methyl-4,5-bis(phenylmethoxy)oxan-3-ol (CID 3702907) is 2-(azidomethyl)-6-methyl-4,5-bis(phenylmethoxy)oxan-3-ol.
What is the SMILES notation for 2-(azidomethyl)-6-methyl-4,5-bis(phenylmethoxy)oxan-3-ol?
The canonical SMILES for 2-(azidomethyl)-6-methyl-4,5-bis(phenylmethoxy)oxan-3-ol is CC1OC(CN=[N+]=[N-])C(O)C(OCc2ccccc2)C1OCc1ccccc1.
What is the InChIKey of 2-(azidomethyl)-6-methyl-4,5-bis(phenylmethoxy)oxan-3-ol?
The InChIKey is SQRIVMCHUZEJPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O4/c1-15-20(26-13-16-8-4-2-5-9-16)21(19(25)18(28-15)12-23-24-22)27-14-17-10-6-3-7-11-17/h2-11,15,18-21,25H,12-14H2,1H3.
What are the key properties of 2-(azidomethyl)-6-methyl-4,5-bis(phenylmethoxy)oxan-3-ol?
2-(azidomethyl)-6-methyl-4,5-bis(phenylmethoxy)oxan-3-ol has a molecular weight of 383.45 g/mol, XLogP of 3.62, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azidomethyl)-6-methyl-4,5-bis(phenylmethoxy)oxan-3-ol is sourced from PubChem (CID 3702907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).