N-[(2R,3R,4R,5S,6R)-2-azido-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]acetamide

C29H32N4O5 — CID 15379132

IUPACN-[(2R,3R,4R,5S,6R)-2-azido-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]acetamide
SMILESCC(=O)N[C@@H]1[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H](COCc2ccccc2)O[C@H]1N=[N+]=[N-]
InChIInChI=1S/C29H32N4O5/c1-21(34)31-26-28(37-19-24-15-9-4-10-16-24)27(36-18-23-13-7-3-8-14-23)25(38-29(26)32-33-30)20-35-17-22-11-5-2-6-12-22/h2-16,25-29H,17-20H2,1H3,(H,31,34)/t25-,26-,27-,28-,29-/m1/s1
InChIKeyXOOBJDMHDWWHLZ-HWVUQVAQSA-N
MW516.60 g/mol
LogP4.91
Rot. Bonds12

About N-[(2R,3R,4R,5S,6R)-2-azido-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]acetamide

N-[(2R,3R,4R,5S,6R)-2-azido-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]acetamide (PubChem CID 15379132) has the molecular formula C29H32N4O5 and a molecular weight of 516.60 g/mol. Its IUPAC name is N-[(2R,3R,4R,5S,6R)-2-azido-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]acetamide.

Molecular Properties

Compound NameN-[(2R,3R,4R,5S,6R)-2-azido-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]acetamide
PubChem CID15379132
Molecular FormulaC29H32N4O5
Molecular Weight516.60 g/mol
Exact Mass516.24
IUPAC NameN-[(2R,3R,4R,5S,6R)-2-azido-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]acetamide
SMILESCC(=O)N[C@@H]1[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H](COCc2ccccc2)O[C@H]1N=[N+]=[N-]
InChIInChI=1S/C29H32N4O5/c1-21(34)31-26-28(37-19-24-15-9-4-10-16-24)27(36-18-23-13-7-3-8-14-23)25(38-29(26)32-33-30)20-35-17-22-11-5-2-6-12-22/h2-16,25-29H,17-20H2,1H3,(H,31,34)/t25-,26-,27-,28-,29-/m1/s1
InChIKeyXOOBJDMHDWWHLZ-HWVUQVAQSA-N
XLogP4.91
TPSA114.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.60
LogP ≤ 54.91
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 N-[(2R,3R,4R,5S,6R)-2-azido-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]acetamide?
The IUPAC name of N-[(2R,3R,4R,5S,6R)-2-azido-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]acetamide (CID 15379132) is N-[(2R,3R,4R,5S,6R)-2-azido-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]acetamide.
What is the SMILES notation for N-[(2R,3R,4R,5S,6R)-2-azido-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]acetamide?
The canonical SMILES for N-[(2R,3R,4R,5S,6R)-2-azido-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]acetamide is CC(=O)N[C@@H]1[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H](COCc2ccccc2)O[C@H]1N=[N+]=[N-].
What is the InChIKey of N-[(2R,3R,4R,5S,6R)-2-azido-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]acetamide?
The InChIKey is XOOBJDMHDWWHLZ-HWVUQVAQSA-N. The full InChI is InChI=1S/C29H32N4O5/c1-21(34)31-26-28(37-19-24-15-9-4-10-16-24)27(36-18-23-13-7-3-8-14-23)25(38-29(26)32-33-30)20-35-17-22-11-5-2-6-12-22/h2-16,25-29H,17-20H2,1H3,(H,31,34)/t25-,26-,27-,28-,29-/m1/s1.
What are the key properties of N-[(2R,3R,4R,5S,6R)-2-azido-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]acetamide?
N-[(2R,3R,4R,5S,6R)-2-azido-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]acetamide has a molecular weight of 516.60 g/mol, XLogP of 4.91, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,3R,4R,5S,6R)-2-azido-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]acetamide is sourced from PubChem (CID 15379132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).