(4R)-2-azido-3,4,6-tris(phenylmethoxy)hexane-1,5-diol

C27H31N3O5 — CID 134973069

IUPAC(4R)-2-azido-3,4,6-tris(phenylmethoxy)hexane-1,5-diol
SMILES[N-]=[N+]=NC(CO)C(OCc1ccccc1)[C@H](OCc1ccccc1)C(O)COCc1ccccc1
InChIInChI=1S/C27H31N3O5/c28-30-29-24(16-31)26(34-18-22-12-6-2-7-13-22)27(35-19-23-14-8-3-9-15-23)25(32)20-33-17-21-10-4-1-5-11-21/h1-15,24-27,31-32H,16-20H2/t24?,25?,26?,27-/m1/s1
InChIKeyYCYIZAAMYDQQMK-VZWKQKHMSA-N
MW477.56 g/mol
LogP4.41
Rot. Bonds15

About (4R)-2-azido-3,4,6-tris(phenylmethoxy)hexane-1,5-diol

(4R)-2-azido-3,4,6-tris(phenylmethoxy)hexane-1,5-diol (PubChem CID 134973069) has the molecular formula C27H31N3O5 and a molecular weight of 477.56 g/mol. Its IUPAC name is (4R)-2-azido-3,4,6-tris(phenylmethoxy)hexane-1,5-diol.

Molecular Properties

Compound Name(4R)-2-azido-3,4,6-tris(phenylmethoxy)hexane-1,5-diol
PubChem CID134973069
Molecular FormulaC27H31N3O5
Molecular Weight477.56 g/mol
Exact Mass477.23
IUPAC Name(4R)-2-azido-3,4,6-tris(phenylmethoxy)hexane-1,5-diol
SMILES[N-]=[N+]=NC(CO)C(OCc1ccccc1)[C@H](OCc1ccccc1)C(O)COCc1ccccc1
InChIInChI=1S/C27H31N3O5/c28-30-29-24(16-31)26(34-18-22-12-6-2-7-13-22)27(35-19-23-14-8-3-9-15-23)25(32)20-33-17-21-10-4-1-5-11-21/h1-15,24-27,31-32H,16-20H2/t24?,25?,26?,27-/m1/s1
InChIKeyYCYIZAAMYDQQMK-VZWKQKHMSA-N
XLogP4.41
TPSA116.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.56
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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 (4R)-2-azido-3,4,6-tris(phenylmethoxy)hexane-1,5-diol?
The IUPAC name of (4R)-2-azido-3,4,6-tris(phenylmethoxy)hexane-1,5-diol (CID 134973069) is (4R)-2-azido-3,4,6-tris(phenylmethoxy)hexane-1,5-diol.
What is the SMILES notation for (4R)-2-azido-3,4,6-tris(phenylmethoxy)hexane-1,5-diol?
The canonical SMILES for (4R)-2-azido-3,4,6-tris(phenylmethoxy)hexane-1,5-diol is [N-]=[N+]=NC(CO)C(OCc1ccccc1)[C@H](OCc1ccccc1)C(O)COCc1ccccc1.
What is the InChIKey of (4R)-2-azido-3,4,6-tris(phenylmethoxy)hexane-1,5-diol?
The InChIKey is YCYIZAAMYDQQMK-VZWKQKHMSA-N. The full InChI is InChI=1S/C27H31N3O5/c28-30-29-24(16-31)26(34-18-22-12-6-2-7-13-22)27(35-19-23-14-8-3-9-15-23)25(32)20-33-17-21-10-4-1-5-11-21/h1-15,24-27,31-32H,16-20H2/t24?,25?,26?,27-/m1/s1.
What are the key properties of (4R)-2-azido-3,4,6-tris(phenylmethoxy)hexane-1,5-diol?
(4R)-2-azido-3,4,6-tris(phenylmethoxy)hexane-1,5-diol has a molecular weight of 477.56 g/mol, XLogP of 4.41, 15 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-azido-3,4,6-tris(phenylmethoxy)hexane-1,5-diol is sourced from PubChem (CID 134973069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).