2-(azidomethyl)-3,4,5,6-tetrakis(phenylmethoxy)oxane

C34H35N3O5 — CID 22088767

IUPAC2-(azidomethyl)-3,4,5,6-tetrakis(phenylmethoxy)oxane
SMILES[N-]=[N+]=NCC1OC(OCc2ccccc2)C(OCc2ccccc2)C(OCc2ccccc2)C1OCc1ccccc1
InChIInChI=1S/C34H35N3O5/c35-37-36-21-30-31(38-22-26-13-5-1-6-14-26)32(39-23-27-15-7-2-8-16-27)33(40-24-28-17-9-3-10-18-28)34(42-30)41-25-29-19-11-4-12-20-29/h1-20,30-34H,21-25H2
InChIKeyVOTQGQDHMHGYRX-UHFFFAOYSA-N
MW565.67 g/mol
LogP6.99
Rot. Bonds14

About 2-(azidomethyl)-3,4,5,6-tetrakis(phenylmethoxy)oxane

2-(azidomethyl)-3,4,5,6-tetrakis(phenylmethoxy)oxane (PubChem CID 22088767) has the molecular formula C34H35N3O5 and a molecular weight of 565.67 g/mol. Its IUPAC name is 2-(azidomethyl)-3,4,5,6-tetrakis(phenylmethoxy)oxane.

Molecular Properties

Compound Name2-(azidomethyl)-3,4,5,6-tetrakis(phenylmethoxy)oxane
PubChem CID22088767
Molecular FormulaC34H35N3O5
Molecular Weight565.67 g/mol
Exact Mass565.26
IUPAC Name2-(azidomethyl)-3,4,5,6-tetrakis(phenylmethoxy)oxane
SMILES[N-]=[N+]=NCC1OC(OCc2ccccc2)C(OCc2ccccc2)C(OCc2ccccc2)C1OCc1ccccc1
InChIInChI=1S/C34H35N3O5/c35-37-36-21-30-31(38-22-26-13-5-1-6-14-26)32(39-23-27-15-7-2-8-16-27)33(40-24-28-17-9-3-10-18-28)34(42-30)41-25-29-19-11-4-12-20-29/h1-20,30-34H,21-25H2
InChIKeyVOTQGQDHMHGYRX-UHFFFAOYSA-N
XLogP6.99
TPSA94.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500565.67
LogP ≤ 56.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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,6R)-6-(azidomethyl)-3,4,5-tris(phenylmethoxy)oxan-2-yl] acetate
CID 46894843
(2S,3R,5S,6R)-3,5-diazido-2-[(2R,3R,4S,5R,6R)-6-(azidomethyl)-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxy-6-[(2S,3S,4R,5S,6S)-6-(azidomethyl)-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxycyclohexan-1-ol
CID 11263308
(2R,3R,4S,5S,6S)-2-(azidomethyl)-6-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-3,4,5-tris(phenylmethoxy)oxane
CID 102222078
[(2R,3R,4S,5R,6R)-6-(azidomethyl)-3,4,5-tris(phenylmethoxy)oxan-2-yl] 2,2,2-trichloroethanimidate
CID 102456606
(2R,3R,4R,5R,6R)-5-azido-2-(azidomethyl)-6-chloro-3,4-bis(phenylmethoxy)oxane
CID 154149684
(2S,3S,4S,5R,6R)-2,3,4,5-tetrakis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 66864680
[(1S,2S,3R,4S,6R)-2-acetyloxy-4,6-diazido-3-[(2R,3R,4S,5R,6R)-6-(azidomethyl)-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxycyclohexyl] acetate
CID 11181802
(2R,3S,4R,5R,6R)-5-azido-2-(azidomethyl)-6-[(1R,2S,3S,4R,6S)-4,6-diazido-3-[(2R,3S,4S,5R,6R)-6-(azidomethyl)-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxy-2-hydroxycyclohexyl]oxyoxane-3,4-diol
CID 101340195
(2R,3R,4S,5R,6R)-2-(azidomethyl)-6-[(1R,2R,3S,4R,6S)-4,6-diazido-3-[(2S,3R,5S,6R)-4-azido-3,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-2-phenylmethoxycyclohexyl]oxy-3,4,5-tris(phenylmethoxy)oxane
CID 156757120
(2R,3S,5R,6R)-2-(azidomethyl)-6-chloro-3,5-bis(phenylmethoxy)oxane
CID 54341772
(2R,3R,4S,5R,6R)-2-[(2S,3S,4R,5R)-5-(azidomethyl)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxolan-2-yl]oxy-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 122211491
(1R,2R,3S,5R,6S)-3,5-diazido-2-[(2R,3R,4R,5R,6R)-3-azido-6-(azidomethyl)-4,5-bis(phenylmethoxy)oxan-2-yl]oxy-6-phenylmethoxycyclohexan-1-ol
CID 11445417

Frequently Asked Questions

What is the IUPAC name of 2-(azidomethyl)-3,4,5,6-tetrakis(phenylmethoxy)oxane?
The IUPAC name of 2-(azidomethyl)-3,4,5,6-tetrakis(phenylmethoxy)oxane (CID 22088767) is 2-(azidomethyl)-3,4,5,6-tetrakis(phenylmethoxy)oxane.
What is the SMILES notation for 2-(azidomethyl)-3,4,5,6-tetrakis(phenylmethoxy)oxane?
The canonical SMILES for 2-(azidomethyl)-3,4,5,6-tetrakis(phenylmethoxy)oxane is [N-]=[N+]=NCC1OC(OCc2ccccc2)C(OCc2ccccc2)C(OCc2ccccc2)C1OCc1ccccc1.
What is the InChIKey of 2-(azidomethyl)-3,4,5,6-tetrakis(phenylmethoxy)oxane?
The InChIKey is VOTQGQDHMHGYRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H35N3O5/c35-37-36-21-30-31(38-22-26-13-5-1-6-14-26)32(39-23-27-15-7-2-8-16-27)33(40-24-28-17-9-3-10-18-28)34(42-30)41-25-29-19-11-4-12-20-29/h1-20,30-34H,21-25H2.
What are the key properties of 2-(azidomethyl)-3,4,5,6-tetrakis(phenylmethoxy)oxane?
2-(azidomethyl)-3,4,5,6-tetrakis(phenylmethoxy)oxane has a molecular weight of 565.67 g/mol, XLogP of 6.99, 14 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azidomethyl)-3,4,5,6-tetrakis(phenylmethoxy)oxane is sourced from PubChem (CID 22088767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).