9-(azidomethyl)-2,6,8-trioxabicyclo[5.2.2]undecane-10,11-diol

C9H15N3O5 — CID 59343151

IUPAC9-(azidomethyl)-2,6,8-trioxabicyclo[5.2.2]undecane-10,11-diol
SMILES[N-]=[N+]=NCC1OC2OCCCOC1C(O)C2O
InChIInChI=1S/C9H15N3O5/c10-12-11-4-5-8-6(13)7(14)9(17-5)16-3-1-2-15-8/h5-9,13-14H,1-4H2
InChIKeyWFZYDUYMWSFYCU-UHFFFAOYSA-N
MW245.23 g/mol
LogP-0.45
Rot. Bonds2

About 9-(azidomethyl)-2,6,8-trioxabicyclo[5.2.2]undecane-10,11-diol

9-(azidomethyl)-2,6,8-trioxabicyclo[5.2.2]undecane-10,11-diol (PubChem CID 59343151) has the molecular formula C9H15N3O5 and a molecular weight of 245.23 g/mol. Its IUPAC name is 9-(azidomethyl)-2,6,8-trioxabicyclo[5.2.2]undecane-10,11-diol.

Molecular Properties

Compound Name9-(azidomethyl)-2,6,8-trioxabicyclo[5.2.2]undecane-10,11-diol
PubChem CID59343151
Molecular FormulaC9H15N3O5
Molecular Weight245.23 g/mol
Exact Mass245.10
IUPAC Name9-(azidomethyl)-2,6,8-trioxabicyclo[5.2.2]undecane-10,11-diol
SMILES[N-]=[N+]=NCC1OC2OCCCOC1C(O)C2O
InChIInChI=1S/C9H15N3O5/c10-12-11-4-5-8-6(13)7(14)9(17-5)16-3-1-2-15-8/h5-9,13-14H,1-4H2
InChIKeyWFZYDUYMWSFYCU-UHFFFAOYSA-N
XLogP-0.45
TPSA116.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.23
LogP ≤ 5-0.45
H-Bond Donors ≤ 52
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'}

Analyze 9-(azidomethyl)-2,6,8-trioxabicyclo[5.2.2]undecane-10,11-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23R,25R,26S,28R,30R,31S,33R,35R,36S,37S,38S,39S,40S,41S,42S,43S,44S,45S,46S,47S,48S,49S)-36,38,40,42,44,46,48-heptaazido-5,10,15,20,25,30,35-heptakis(azidomethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontane-37,39,41,43,45,47,49-heptol
CID 11159237
2-[2-[(10,11-dihydroxy-2,6,8-trioxabicyclo[5.2.2]undecan-9-yl)methylsulfanyl]ethyl]guanidine;methane
CID 160771980
9-(2-aminoethylsulfanylmethyl)-2,6,8-trioxabicyclo[5.2.2]undecane-10,11-diol;hydrochloride
CID 123773148
9-(4-aminobutylsulfanylmethyl)-2,6,8-trioxabicyclo[5.2.2]undecane-10,11-diol;hydrochloride
CID 123638814
9-[(4-hydroxyanilino)methyl]-2,6,8-trioxabicyclo[5.2.2]undecane-10,11-diol
CID 59343176
sodium;8-(aminomethyl)-2,9-dioxabicyclo[5.2.2]undecane-10,11-diol;8-(azidomethyl)-2,9-dioxabicyclo[5.2.2]undecane-10,11-diol;8-(hydroxymethyl)-2,9-dioxabicyclo[5.2.2]undecane-10,11-diol;8-(iodomethyl)-2,9-dioxabicyclo[5.2.2]undecane-10,11-diol;8-(sulfanylmethyl)-2,9-dioxabicyclo[5.2.2]undecane-10,11-diol;azide
CID 159262816
9-[3-(chloroamino)propylsulfanylmethyl]-2,6,8-trioxabicyclo[5.2.2]undecane-10,11-diol
CID 59343183
(2R,4R)-5-(azidomethyl)oxolane-2,3,4-triol
CID 153454209
(1S,3R,5R,6S,8R,10R,11R,13R,15R,16S,18R,20R,21S,23R,25R,26S,28R,30R,31S,33R,35R,36R,37R,38R,39R,40R,41R,42R,43R,44R,45R,46R,47R,48R,49R)-5,10,15,20,25,30,35-heptakis(azidomethyl)-46-[(E)-3-phenylprop-2-enoxy]-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontane-36,37,38,39,40,41,42,43,44,45,47,48,49-tridecol
CID 102307636
5,10,15,20,25,30,39-heptakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,36,38-tetradecaoxaoctacyclo[35.2.2.23,6.28,11.213,16.218,21.223,26.228,31]tripentacontane-40,41,42,43,44,45,46,47,48,49,50,51,52,53-tetradecol
CID 176648323
5-amino-N-[(10,11-dihydroxy-2,6,8-trioxabicyclo[5.2.2]undecan-9-yl)methyl]pentanamide
CID 59343141
9-[[(4-bromophenyl)methylamino]methyl]-2,6,8-trioxabicyclo[5.2.2]undecane-10,11-diol
CID 59343144

Frequently Asked Questions

What is the IUPAC name of 9-(azidomethyl)-2,6,8-trioxabicyclo[5.2.2]undecane-10,11-diol?
The IUPAC name of 9-(azidomethyl)-2,6,8-trioxabicyclo[5.2.2]undecane-10,11-diol (CID 59343151) is 9-(azidomethyl)-2,6,8-trioxabicyclo[5.2.2]undecane-10,11-diol.
What is the SMILES notation for 9-(azidomethyl)-2,6,8-trioxabicyclo[5.2.2]undecane-10,11-diol?
The canonical SMILES for 9-(azidomethyl)-2,6,8-trioxabicyclo[5.2.2]undecane-10,11-diol is [N-]=[N+]=NCC1OC2OCCCOC1C(O)C2O.
What is the InChIKey of 9-(azidomethyl)-2,6,8-trioxabicyclo[5.2.2]undecane-10,11-diol?
The InChIKey is WFZYDUYMWSFYCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O5/c10-12-11-4-5-8-6(13)7(14)9(17-5)16-3-1-2-15-8/h5-9,13-14H,1-4H2.
What are the key properties of 9-(azidomethyl)-2,6,8-trioxabicyclo[5.2.2]undecane-10,11-diol?
9-(azidomethyl)-2,6,8-trioxabicyclo[5.2.2]undecane-10,11-diol has a molecular weight of 245.23 g/mol, XLogP of -0.45, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(azidomethyl)-2,6,8-trioxabicyclo[5.2.2]undecane-10,11-diol is sourced from PubChem (CID 59343151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).