(2R,3R,4S,5R,6R)-2-(2-azidoethoxy)-3,4,5-tris(prop-2-enoxy)-6-(prop-2-enoxymethyl)oxane

C20H31N3O6 — CID 132604145

IUPAC(2R,3R,4S,5R,6R)-2-(2-azidoethoxy)-3,4,5-tris(prop-2-enoxy)-6-(prop-2-enoxymethyl)oxane
SMILESC=CCOC[C@H]1O[C@@H](OCCN=[N+]=[N-])[C@H](OCC=C)[C@@H](OCC=C)[C@@H]1OCC=C
InChIInChI=1S/C20H31N3O6/c1-5-10-24-15-16-17(25-11-6-2)18(26-12-7-3)19(27-13-8-4)20(29-16)28-14-9-22-23-21/h5-8,16-20H,1-4,9-15H2/t16-,17-,18+,19-,20-/m1/s1
InChIKeyWFPZUZUELOZLHU-OUUBHVDSSA-N
MW409.48 g/mol
LogP2.95
Rot. Bonds17

About (2R,3R,4S,5R,6R)-2-(2-azidoethoxy)-3,4,5-tris(prop-2-enoxy)-6-(prop-2-enoxymethyl)oxane

(2R,3R,4S,5R,6R)-2-(2-azidoethoxy)-3,4,5-tris(prop-2-enoxy)-6-(prop-2-enoxymethyl)oxane (PubChem CID 132604145) has the molecular formula C20H31N3O6 and a molecular weight of 409.48 g/mol. Its IUPAC name is (2R,3R,4S,5R,6R)-2-(2-azidoethoxy)-3,4,5-tris(prop-2-enoxy)-6-(prop-2-enoxymethyl)oxane.

Molecular Properties

Compound Name(2R,3R,4S,5R,6R)-2-(2-azidoethoxy)-3,4,5-tris(prop-2-enoxy)-6-(prop-2-enoxymethyl)oxane
PubChem CID132604145
Molecular FormulaC20H31N3O6
Molecular Weight409.48 g/mol
Exact Mass409.22
IUPAC Name(2R,3R,4S,5R,6R)-2-(2-azidoethoxy)-3,4,5-tris(prop-2-enoxy)-6-(prop-2-enoxymethyl)oxane
SMILESC=CCOC[C@H]1O[C@@H](OCCN=[N+]=[N-])[C@H](OCC=C)[C@@H](OCC=C)[C@@H]1OCC=C
InChIInChI=1S/C20H31N3O6/c1-5-10-24-15-16-17(25-11-6-2)18(26-12-7-3)19(27-13-8-4)20(29-16)28-14-9-22-23-21/h5-8,16-20H,1-4,9-15H2/t16-,17-,18+,19-,20-/m1/s1
InChIKeyWFPZUZUELOZLHU-OUUBHVDSSA-N
XLogP2.95
TPSA104.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds17
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.48
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', '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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(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
(2R,3R,4S,5R,6R)-3,4,5-tris(prop-2-enoxy)-2-(prop-2-enoxymethyl)-6-[(2R,3R,4S,5R,6R)-3,4,5-tris(prop-2-enoxy)-6-(prop-2-enoxymethyl)oxan-2-yl]oxyoxane
CID 10723050
3-[[(2R,3R,4S,5R,6R)-6-(2-azidoethoxy)-3,4,5-tris(3-hydroxypropoxy)oxan-2-yl]methoxy]propan-1-ol
CID 132555534
(2R,3R,4S,5R,6R)-2-bromo-3,4,5-tris(prop-2-enoxy)-6-(prop-2-enoxymethyl)oxane
CID 167455087
3-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]prop-1-ene
CID 150682699
(2R,3R,4S,5R,6S)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-5,6-bis(prop-2-enoxy)oxane
CID 67465607
[(3R,6R)-3,4,5-triacetyloxy-6-(2-azidoethoxy)oxan-2-yl]methyl acetate
CID 135021047
N-[(2S,3R,4R,5S,6R)-2-methoxy-4,5-bis(prop-2-enoxy)-6-(prop-2-enoxymethyl)oxan-3-yl]acetamide
CID 146018819
[(3R,5R)-3,4,5-triacetyloxy-6-(2-azidoethoxy)oxan-2-yl]methyl acetate
CID 70912903
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[[(2R,3R,4S,5R,6S)-6-methoxy-3,4,5-tris(prop-2-enoxy)oxan-2-yl]methoxy]oxane-3,4,5-triol
CID 102401700
(2R,3S,4R,5S,6S)-2-(2-azidoethoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
CID 94855039
(2R,3S,5S)-2-(2-azidoethoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
CID 90070178

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5R,6R)-2-(2-azidoethoxy)-3,4,5-tris(prop-2-enoxy)-6-(prop-2-enoxymethyl)oxane?
The IUPAC name of (2R,3R,4S,5R,6R)-2-(2-azidoethoxy)-3,4,5-tris(prop-2-enoxy)-6-(prop-2-enoxymethyl)oxane (CID 132604145) is (2R,3R,4S,5R,6R)-2-(2-azidoethoxy)-3,4,5-tris(prop-2-enoxy)-6-(prop-2-enoxymethyl)oxane.
What is the SMILES notation for (2R,3R,4S,5R,6R)-2-(2-azidoethoxy)-3,4,5-tris(prop-2-enoxy)-6-(prop-2-enoxymethyl)oxane?
The canonical SMILES for (2R,3R,4S,5R,6R)-2-(2-azidoethoxy)-3,4,5-tris(prop-2-enoxy)-6-(prop-2-enoxymethyl)oxane is C=CCOC[C@H]1O[C@@H](OCCN=[N+]=[N-])[C@H](OCC=C)[C@@H](OCC=C)[C@@H]1OCC=C.
What is the InChIKey of (2R,3R,4S,5R,6R)-2-(2-azidoethoxy)-3,4,5-tris(prop-2-enoxy)-6-(prop-2-enoxymethyl)oxane?
The InChIKey is WFPZUZUELOZLHU-OUUBHVDSSA-N. The full InChI is InChI=1S/C20H31N3O6/c1-5-10-24-15-16-17(25-11-6-2)18(26-12-7-3)19(27-13-8-4)20(29-16)28-14-9-22-23-21/h5-8,16-20H,1-4,9-15H2/t16-,17-,18+,19-,20-/m1/s1.
What are the key properties of (2R,3R,4S,5R,6R)-2-(2-azidoethoxy)-3,4,5-tris(prop-2-enoxy)-6-(prop-2-enoxymethyl)oxane?
(2R,3R,4S,5R,6R)-2-(2-azidoethoxy)-3,4,5-tris(prop-2-enoxy)-6-(prop-2-enoxymethyl)oxane has a molecular weight of 409.48 g/mol, XLogP of 2.95, 17 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5R,6R)-2-(2-azidoethoxy)-3,4,5-tris(prop-2-enoxy)-6-(prop-2-enoxymethyl)oxane is sourced from PubChem (CID 132604145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).