(E,4R,5S,6R)-7-azido-4,5,6-tris(phenylmethoxy)hept-2-en-1-ol

C28H31N3O4 — CID 101068685

IUPAC(E,4R,5S,6R)-7-azido-4,5,6-tris(phenylmethoxy)hept-2-en-1-ol
SMILES[N-]=[N+]=NC[C@@H](OCc1ccccc1)[C@@H](OCc1ccccc1)[C@@H](/C=C/CO)OCc1ccccc1
InChIInChI=1S/C28H31N3O4/c29-31-30-19-27(34-21-24-13-6-2-7-14-24)28(35-22-25-15-8-3-9-16-25)26(17-10-18-32)33-20-23-11-4-1-5-12-23/h1-17,26-28,32H,18-22H2/b17-10+/t26-,27-,28+/m1/s1
InChIKeyOOAQENZOPGXWHX-RVBIVELZSA-N
MW473.57 g/mol
LogP5.60
Rot. Bonds15

About (E,4R,5S,6R)-7-azido-4,5,6-tris(phenylmethoxy)hept-2-en-1-ol

(E,4R,5S,6R)-7-azido-4,5,6-tris(phenylmethoxy)hept-2-en-1-ol (PubChem CID 101068685) has the molecular formula C28H31N3O4 and a molecular weight of 473.57 g/mol. Its IUPAC name is (E,4R,5S,6R)-7-azido-4,5,6-tris(phenylmethoxy)hept-2-en-1-ol.

Molecular Properties

Compound Name(E,4R,5S,6R)-7-azido-4,5,6-tris(phenylmethoxy)hept-2-en-1-ol
PubChem CID101068685
Molecular FormulaC28H31N3O4
Molecular Weight473.57 g/mol
Exact Mass473.23
IUPAC Name(E,4R,5S,6R)-7-azido-4,5,6-tris(phenylmethoxy)hept-2-en-1-ol
SMILES[N-]=[N+]=NC[C@@H](OCc1ccccc1)[C@@H](OCc1ccccc1)[C@@H](/C=C/CO)OCc1ccccc1
InChIInChI=1S/C28H31N3O4/c29-31-30-19-27(34-21-24-13-6-2-7-14-24)28(35-22-25-15-8-3-9-16-25)26(17-10-18-32)33-20-23-11-4-1-5-12-23/h1-17,26-28,32H,18-22H2/b17-10+/t26-,27-,28+/m1/s1
InChIKeyOOAQENZOPGXWHX-RVBIVELZSA-N
XLogP5.60
TPSA96.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.57
LogP ≤ 55.60
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': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze (E,4R,5S,6R)-7-azido-4,5,6-tris(phenylmethoxy)hept-2-en-1-ol 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

(2R,3S,4R)-5-azido-2,3,4-tris(phenylmethoxy)pentanal
CID 18654073
(2E,6E)-4,5-bis(phenylmethoxy)octa-2,6-diene-1,8-diol
CID 6393557
1,6-diazido-3,4-bis(phenylmethoxy)hexane-2,5-diol
CID 59824366
(2S,3R)-1-azido-3-phenylmethoxypent-4-en-2-ol;[(2S,3R)-1-azido-2-phenylmethoxypent-4-en-3-yl]oxymethylbenzene;bromomethylbenzene
CID 159201946
(4S)-4,6-bis(methoxymethoxy)-5,7-bis(phenylmethoxy)hept-2-en-1-ol
CID 90855884
3-azido-2-phenylmethoxypropanal
CID 130004617
(E,4R)-4-phenylmethoxypent-2-en-1-ol
CID 121008180
(2S,3R)-2-[(1S,2R,3R)-4-azido-1,2,3-tris(phenylmethoxy)butyl]-3-(3-chloropropyl)oxirane
CID 10697617
(E,4S,5R)-5-(methoxymethoxy)-4,6-bis(phenylmethoxy)hex-2-en-1-ol
CID 135036464
methyl (2R,3R,4R)-3-amino-5-azido-2-[benzyl(methyl)amino]-4-phenylmethoxypentanoate
CID 62706272
[(1R,2S)-3-azido-1-dimethoxyphosphoryl-2-phenylmethoxypropyl] acetate
CID 101189575
(2R,3R,4S,5R)-6-hydroxy-2,3,4,5-tetrakis(phenylmethoxy)hexanal
CID 54316923

Frequently Asked Questions

What is the IUPAC name of (E,4R,5S,6R)-7-azido-4,5,6-tris(phenylmethoxy)hept-2-en-1-ol?
The IUPAC name of (E,4R,5S,6R)-7-azido-4,5,6-tris(phenylmethoxy)hept-2-en-1-ol (CID 101068685) is (E,4R,5S,6R)-7-azido-4,5,6-tris(phenylmethoxy)hept-2-en-1-ol.
What is the SMILES notation for (E,4R,5S,6R)-7-azido-4,5,6-tris(phenylmethoxy)hept-2-en-1-ol?
The canonical SMILES for (E,4R,5S,6R)-7-azido-4,5,6-tris(phenylmethoxy)hept-2-en-1-ol is [N-]=[N+]=NC[C@@H](OCc1ccccc1)[C@@H](OCc1ccccc1)[C@@H](/C=C/CO)OCc1ccccc1.
What is the InChIKey of (E,4R,5S,6R)-7-azido-4,5,6-tris(phenylmethoxy)hept-2-en-1-ol?
The InChIKey is OOAQENZOPGXWHX-RVBIVELZSA-N. The full InChI is InChI=1S/C28H31N3O4/c29-31-30-19-27(34-21-24-13-6-2-7-14-24)28(35-22-25-15-8-3-9-16-25)26(17-10-18-32)33-20-23-11-4-1-5-12-23/h1-17,26-28,32H,18-22H2/b17-10+/t26-,27-,28+/m1/s1.
What are the key properties of (E,4R,5S,6R)-7-azido-4,5,6-tris(phenylmethoxy)hept-2-en-1-ol?
(E,4R,5S,6R)-7-azido-4,5,6-tris(phenylmethoxy)hept-2-en-1-ol has a molecular weight of 473.57 g/mol, XLogP of 5.60, 15 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E,4R,5S,6R)-7-azido-4,5,6-tris(phenylmethoxy)hept-2-en-1-ol is sourced from PubChem (CID 101068685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).