(3R,4S,5R,6R)-6-(azidomethyl)-3,4,5-tris(phenylmethoxy)oxan-2-ol

C27H29N3O5 — CID 11091975

IUPAC(3R,4S,5R,6R)-6-(azidomethyl)-3,4,5-tris(phenylmethoxy)oxan-2-ol
SMILES[N-]=[N+]=NC[C@H]1OC(O)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1
InChIInChI=1S/C27H29N3O5/c28-30-29-16-23-24(32-17-20-10-4-1-5-11-20)25(33-18-21-12-6-2-7-13-21)26(27(31)35-23)34-19-22-14-8-3-9-15-22/h1-15,23-27,31H,16-19H2/t23-,24-,25+,26-,27?/m1/s1
InChIKeyYOCNTWJRHZJXIH-MZIUKZFCSA-N
MW475.55 g/mol
LogP4.77
Rot. Bonds11

About (3R,4S,5R,6R)-6-(azidomethyl)-3,4,5-tris(phenylmethoxy)oxan-2-ol

(3R,4S,5R,6R)-6-(azidomethyl)-3,4,5-tris(phenylmethoxy)oxan-2-ol (PubChem CID 11091975) has the molecular formula C27H29N3O5 and a molecular weight of 475.55 g/mol. Its IUPAC name is (3R,4S,5R,6R)-6-(azidomethyl)-3,4,5-tris(phenylmethoxy)oxan-2-ol.

Molecular Properties

Compound Name(3R,4S,5R,6R)-6-(azidomethyl)-3,4,5-tris(phenylmethoxy)oxan-2-ol
PubChem CID11091975
Molecular FormulaC27H29N3O5
Molecular Weight475.55 g/mol
Exact Mass475.21
IUPAC Name(3R,4S,5R,6R)-6-(azidomethyl)-3,4,5-tris(phenylmethoxy)oxan-2-ol
SMILES[N-]=[N+]=NC[C@H]1OC(O)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1
InChIInChI=1S/C27H29N3O5/c28-30-29-16-23-24(32-17-20-10-4-1-5-11-20)25(33-18-21-12-6-2-7-13-21)26(27(31)35-23)34-19-22-14-8-3-9-15-22/h1-15,23-27,31H,16-19H2/t23-,24-,25+,26-,27?/m1/s1
InChIKeyYOCNTWJRHZJXIH-MZIUKZFCSA-N
XLogP4.77
TPSA105.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.55
LogP ≤ 54.77
H-Bond Donors ≤ 51
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 (3R,4S,5R,6R)-6-(azidomethyl)-3,4,5-tris(phenylmethoxy)oxan-2-ol?
The IUPAC name of (3R,4S,5R,6R)-6-(azidomethyl)-3,4,5-tris(phenylmethoxy)oxan-2-ol (CID 11091975) is (3R,4S,5R,6R)-6-(azidomethyl)-3,4,5-tris(phenylmethoxy)oxan-2-ol.
What is the SMILES notation for (3R,4S,5R,6R)-6-(azidomethyl)-3,4,5-tris(phenylmethoxy)oxan-2-ol?
The canonical SMILES for (3R,4S,5R,6R)-6-(azidomethyl)-3,4,5-tris(phenylmethoxy)oxan-2-ol is [N-]=[N+]=NC[C@H]1OC(O)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1.
What is the InChIKey of (3R,4S,5R,6R)-6-(azidomethyl)-3,4,5-tris(phenylmethoxy)oxan-2-ol?
The InChIKey is YOCNTWJRHZJXIH-MZIUKZFCSA-N. The full InChI is InChI=1S/C27H29N3O5/c28-30-29-16-23-24(32-17-20-10-4-1-5-11-20)25(33-18-21-12-6-2-7-13-21)26(27(31)35-23)34-19-22-14-8-3-9-15-22/h1-15,23-27,31H,16-19H2/t23-,24-,25+,26-,27?/m1/s1.
What are the key properties of (3R,4S,5R,6R)-6-(azidomethyl)-3,4,5-tris(phenylmethoxy)oxan-2-ol?
(3R,4S,5R,6R)-6-(azidomethyl)-3,4,5-tris(phenylmethoxy)oxan-2-ol has a molecular weight of 475.55 g/mol, XLogP of 4.77, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S,5R,6R)-6-(azidomethyl)-3,4,5-tris(phenylmethoxy)oxan-2-ol is sourced from PubChem (CID 11091975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).