(2R,3S,4R)-5-azido-2,3,4-tris(phenylmethoxy)pentanal

C26H27N3O4 — CID 18654073

IUPAC(2R,3S,4R)-5-azido-2,3,4-tris(phenylmethoxy)pentanal
SMILES[N-]=[N+]=NC[C@@H](OCc1ccccc1)[C@H](OCc1ccccc1)[C@H](C=O)OCc1ccccc1
InChIInChI=1S/C26H27N3O4/c27-29-28-16-24(31-18-21-10-4-1-5-11-21)26(33-20-23-14-8-3-9-15-23)25(17-30)32-19-22-12-6-2-7-13-22/h1-15,17,24-26H,16,18-20H2/t24-,25+,26+/m1/s1
InChIKeyHNNWMTULEISXRU-ZNZIZOMTSA-N
MW445.52 g/mol
LogP5.25
Rot. Bonds14

About (2R,3S,4R)-5-azido-2,3,4-tris(phenylmethoxy)pentanal

(2R,3S,4R)-5-azido-2,3,4-tris(phenylmethoxy)pentanal (PubChem CID 18654073) has the molecular formula C26H27N3O4 and a molecular weight of 445.52 g/mol. Its IUPAC name is (2R,3S,4R)-5-azido-2,3,4-tris(phenylmethoxy)pentanal.

Molecular Properties

Compound Name(2R,3S,4R)-5-azido-2,3,4-tris(phenylmethoxy)pentanal
PubChem CID18654073
Molecular FormulaC26H27N3O4
Molecular Weight445.52 g/mol
Exact Mass445.20
IUPAC Name(2R,3S,4R)-5-azido-2,3,4-tris(phenylmethoxy)pentanal
SMILES[N-]=[N+]=NC[C@@H](OCc1ccccc1)[C@H](OCc1ccccc1)[C@H](C=O)OCc1ccccc1
InChIInChI=1S/C26H27N3O4/c27-29-28-16-24(31-18-21-10-4-1-5-11-21)26(33-20-23-14-8-3-9-15-23)25(17-30)32-19-22-12-6-2-7-13-22/h1-15,17,24-26H,16,18-20H2/t24-,25+,26+/m1/s1
InChIKeyHNNWMTULEISXRU-ZNZIZOMTSA-N
XLogP5.25
TPSA93.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.52
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

(E,4R,5S,6R)-7-azido-4,5,6-tris(phenylmethoxy)hept-2-en-1-ol
CID 101068685
3-azido-2-phenylmethoxypropanal
CID 130004617
(2S,3S,4R)-4-azido-2,3,5-tris(phenylmethoxy)pentanal
CID 102408830
(2R,3R,4S,5R)-6-hydroxy-2,3,4,5-tetrakis(phenylmethoxy)hexanal
CID 54316923
(2R,3R,4R)-2,3,4-tris(phenylmethoxy)-5-prop-2-enoxypentanal
CID 100963665
1,6-diazido-3,4-bis(phenylmethoxy)hexane-2,5-diol
CID 59824366
2,3,4,5,6-pentakis(phenylmethoxy)hexanal
CID 14131714
(2R,3S,4R,5R)-2,3,4,5,6-pentakis(phenylmethoxy)hexanal
CID 11814226
N-[(2R,3S,4S)-5-oxo-2,3,4-tris(phenylmethoxy)pentyl]-N-phenylmethoxyformamide
CID 118433511
(2S,3R)-1-azido-3-phenylmethoxypent-4-en-2-ol;[(2S,3R)-1-azido-2-phenylmethoxypent-4-en-3-yl]oxymethylbenzene;bromomethylbenzene
CID 159201946
(2R,3R)-2,3-bis(phenylmethoxy)pent-4-enal
CID 56926974
(2S,3R,4R,5S)-5-hydroxy-2,3,4-tris(phenylmethoxy)hexanal
CID 18610492

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R)-5-azido-2,3,4-tris(phenylmethoxy)pentanal?
The IUPAC name of (2R,3S,4R)-5-azido-2,3,4-tris(phenylmethoxy)pentanal (CID 18654073) is (2R,3S,4R)-5-azido-2,3,4-tris(phenylmethoxy)pentanal.
What is the SMILES notation for (2R,3S,4R)-5-azido-2,3,4-tris(phenylmethoxy)pentanal?
The canonical SMILES for (2R,3S,4R)-5-azido-2,3,4-tris(phenylmethoxy)pentanal is [N-]=[N+]=NC[C@@H](OCc1ccccc1)[C@H](OCc1ccccc1)[C@H](C=O)OCc1ccccc1.
What is the InChIKey of (2R,3S,4R)-5-azido-2,3,4-tris(phenylmethoxy)pentanal?
The InChIKey is HNNWMTULEISXRU-ZNZIZOMTSA-N. The full InChI is InChI=1S/C26H27N3O4/c27-29-28-16-24(31-18-21-10-4-1-5-11-21)26(33-20-23-14-8-3-9-15-23)25(17-30)32-19-22-12-6-2-7-13-22/h1-15,17,24-26H,16,18-20H2/t24-,25+,26+/m1/s1.
What are the key properties of (2R,3S,4R)-5-azido-2,3,4-tris(phenylmethoxy)pentanal?
(2R,3S,4R)-5-azido-2,3,4-tris(phenylmethoxy)pentanal has a molecular weight of 445.52 g/mol, XLogP of 5.25, 14 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R)-5-azido-2,3,4-tris(phenylmethoxy)pentanal is sourced from PubChem (CID 18654073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).