(2R,3S,4S)-4-azido-2,3,5-tris(phenylmethoxy)pentan-1-ol

C26H29N3O4 — CID 134845818

IUPAC(2R,3S,4S)-4-azido-2,3,5-tris(phenylmethoxy)pentan-1-ol
SMILES[N-]=[N+]=N[C@@H](COCc1ccccc1)[C@H](OCc1ccccc1)[C@@H](CO)OCc1ccccc1
InChIInChI=1S/C26H29N3O4/c27-29-28-24(20-31-17-21-10-4-1-5-11-21)26(33-19-23-14-8-3-9-15-23)25(16-30)32-18-22-12-6-2-7-13-22/h1-15,24-26,30H,16-20H2/t24-,25+,26-/m0/s1
InChIKeyJKCNUICFWRPCOJ-NXCFDTQHSA-N
MW447.54 g/mol
LogP5.05
Rot. Bonds14

About (2R,3S,4S)-4-azido-2,3,5-tris(phenylmethoxy)pentan-1-ol

(2R,3S,4S)-4-azido-2,3,5-tris(phenylmethoxy)pentan-1-ol (PubChem CID 134845818) has the molecular formula C26H29N3O4 and a molecular weight of 447.54 g/mol. Its IUPAC name is (2R,3S,4S)-4-azido-2,3,5-tris(phenylmethoxy)pentan-1-ol.

Molecular Properties

Compound Name(2R,3S,4S)-4-azido-2,3,5-tris(phenylmethoxy)pentan-1-ol
PubChem CID134845818
Molecular FormulaC26H29N3O4
Molecular Weight447.54 g/mol
Exact Mass447.22
IUPAC Name(2R,3S,4S)-4-azido-2,3,5-tris(phenylmethoxy)pentan-1-ol
SMILES[N-]=[N+]=N[C@@H](COCc1ccccc1)[C@H](OCc1ccccc1)[C@@H](CO)OCc1ccccc1
InChIInChI=1S/C26H29N3O4/c27-29-28-24(20-31-17-21-10-4-1-5-11-21)26(33-19-23-14-8-3-9-15-23)25(16-30)32-18-22-12-6-2-7-13-22/h1-15,24-26,30H,16-20H2/t24-,25+,26-/m0/s1
InChIKeyJKCNUICFWRPCOJ-NXCFDTQHSA-N
XLogP5.05
TPSA96.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.54
LogP ≤ 55.05
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': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S)-4-azido-2,3,5-tris(phenylmethoxy)pentan-1-ol?
The IUPAC name of (2R,3S,4S)-4-azido-2,3,5-tris(phenylmethoxy)pentan-1-ol (CID 134845818) is (2R,3S,4S)-4-azido-2,3,5-tris(phenylmethoxy)pentan-1-ol.
What is the SMILES notation for (2R,3S,4S)-4-azido-2,3,5-tris(phenylmethoxy)pentan-1-ol?
The canonical SMILES for (2R,3S,4S)-4-azido-2,3,5-tris(phenylmethoxy)pentan-1-ol is [N-]=[N+]=N[C@@H](COCc1ccccc1)[C@H](OCc1ccccc1)[C@@H](CO)OCc1ccccc1.
What is the InChIKey of (2R,3S,4S)-4-azido-2,3,5-tris(phenylmethoxy)pentan-1-ol?
The InChIKey is JKCNUICFWRPCOJ-NXCFDTQHSA-N. The full InChI is InChI=1S/C26H29N3O4/c27-29-28-24(20-31-17-21-10-4-1-5-11-21)26(33-19-23-14-8-3-9-15-23)25(16-30)32-18-22-12-6-2-7-13-22/h1-15,24-26,30H,16-20H2/t24-,25+,26-/m0/s1.
What are the key properties of (2R,3S,4S)-4-azido-2,3,5-tris(phenylmethoxy)pentan-1-ol?
(2R,3S,4S)-4-azido-2,3,5-tris(phenylmethoxy)pentan-1-ol has a molecular weight of 447.54 g/mol, XLogP of 5.05, 14 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S)-4-azido-2,3,5-tris(phenylmethoxy)pentan-1-ol is sourced from PubChem (CID 134845818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).