(2R,3R,4S,5R,6S)-2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]-5-(ethenoxymethyl)-3,4-bis(prop-2-enoxy)-6-(prop-2-enoxymethyl)oxane

C24H39N3O8 — CID 163856368

IUPAC(2R,3R,4S,5R,6S)-2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]-5-(ethenoxymethyl)-3,4-bis(prop-2-enoxy)-6-(prop-2-enoxymethyl)oxane
SMILESC=CCOC[C@H]1O[C@@H](OCCOCCOCCN=[N+]=[N-])[C@H](OCC=C)[C@@H](OCC=C)[C@@H]1COC=C
InChIInChI=1S/C24H39N3O8/c1-5-10-31-19-21-20(18-28-8-4)22(32-11-6-2)23(33-12-7-3)24(35-21)34-17-16-30-15-14-29-13-9-26-27-25/h5-8,20-24H,1-4,9-19H2/t20-,21-,22+,23-,24-/m1/s1
InChIKeyUBOLJJILVCFYKZ-GNADVCDUSA-N
MW497.59 g/mol
LogP3.19
Rot. Bonds23

About (2R,3R,4S,5R,6S)-2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]-5-(ethenoxymethyl)-3,4-bis(prop-2-enoxy)-6-(prop-2-enoxymethyl)oxane

(2R,3R,4S,5R,6S)-2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]-5-(ethenoxymethyl)-3,4-bis(prop-2-enoxy)-6-(prop-2-enoxymethyl)oxane (PubChem CID 163856368) has the molecular formula C24H39N3O8 and a molecular weight of 497.59 g/mol. Its IUPAC name is (2R,3R,4S,5R,6S)-2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]-5-(ethenoxymethyl)-3,4-bis(prop-2-enoxy)-6-(prop-2-enoxymethyl)oxane.

Molecular Properties

Compound Name(2R,3R,4S,5R,6S)-2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]-5-(ethenoxymethyl)-3,4-bis(prop-2-enoxy)-6-(prop-2-enoxymethyl)oxane
PubChem CID163856368
Molecular FormulaC24H39N3O8
Molecular Weight497.59 g/mol
Exact Mass497.27
IUPAC Name(2R,3R,4S,5R,6S)-2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]-5-(ethenoxymethyl)-3,4-bis(prop-2-enoxy)-6-(prop-2-enoxymethyl)oxane
SMILESC=CCOC[C@H]1O[C@@H](OCCOCCOCCN=[N+]=[N-])[C@H](OCC=C)[C@@H](OCC=C)[C@@H]1COC=C
InChIInChI=1S/C24H39N3O8/c1-5-10-31-19-21-20(18-28-8-4)22(32-11-6-2)23(33-12-7-3)24(35-21)34-17-16-30-15-14-29-13-9-26-27-25/h5-8,20-24H,1-4,9-19H2/t20-,21-,22+,23-,24-/m1/s1
InChIKeyUBOLJJILVCFYKZ-GNADVCDUSA-N
XLogP3.19
TPSA122.60 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds23
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.59
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Analyze (2R,3R,4S,5R,6S)-2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]-5-(ethenoxymethyl)-3,4-bis(prop-2-enoxy)-6-(prop-2-enoxymethyl)oxane with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5R,6S)-2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]-5-(ethenoxymethyl)-3,4-bis(prop-2-enoxy)-6-(prop-2-enoxymethyl)oxane?
The IUPAC name of (2R,3R,4S,5R,6S)-2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]-5-(ethenoxymethyl)-3,4-bis(prop-2-enoxy)-6-(prop-2-enoxymethyl)oxane (CID 163856368) is (2R,3R,4S,5R,6S)-2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]-5-(ethenoxymethyl)-3,4-bis(prop-2-enoxy)-6-(prop-2-enoxymethyl)oxane.
What is the SMILES notation for (2R,3R,4S,5R,6S)-2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]-5-(ethenoxymethyl)-3,4-bis(prop-2-enoxy)-6-(prop-2-enoxymethyl)oxane?
The canonical SMILES for (2R,3R,4S,5R,6S)-2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]-5-(ethenoxymethyl)-3,4-bis(prop-2-enoxy)-6-(prop-2-enoxymethyl)oxane is C=CCOC[C@H]1O[C@@H](OCCOCCOCCN=[N+]=[N-])[C@H](OCC=C)[C@@H](OCC=C)[C@@H]1COC=C.
What is the InChIKey of (2R,3R,4S,5R,6S)-2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]-5-(ethenoxymethyl)-3,4-bis(prop-2-enoxy)-6-(prop-2-enoxymethyl)oxane?
The InChIKey is UBOLJJILVCFYKZ-GNADVCDUSA-N. The full InChI is InChI=1S/C24H39N3O8/c1-5-10-31-19-21-20(18-28-8-4)22(32-11-6-2)23(33-12-7-3)24(35-21)34-17-16-30-15-14-29-13-9-26-27-25/h5-8,20-24H,1-4,9-19H2/t20-,21-,22+,23-,24-/m1/s1.
What are the key properties of (2R,3R,4S,5R,6S)-2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]-5-(ethenoxymethyl)-3,4-bis(prop-2-enoxy)-6-(prop-2-enoxymethyl)oxane?
(2R,3R,4S,5R,6S)-2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]-5-(ethenoxymethyl)-3,4-bis(prop-2-enoxy)-6-(prop-2-enoxymethyl)oxane has a molecular weight of 497.59 g/mol, XLogP of 3.19, 23 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5R,6S)-2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]-5-(ethenoxymethyl)-3,4-bis(prop-2-enoxy)-6-(prop-2-enoxymethyl)oxane is sourced from PubChem (CID 163856368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).