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

C29H32FNO5 — CID 134934033

IUPACN-[(2S,4R,5R,6R)-5-fluoro-2,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]acetamide
SMILESCC(=O)NC1[C@@H](OCc2ccccc2)O[C@H](COCc2ccccc2)[C@H](F)[C@@H]1OCc1ccccc1
InChIInChI=1S/C29H32FNO5/c1-21(32)31-27-28(34-18-23-13-7-3-8-14-23)26(30)25(20-33-17-22-11-5-2-6-12-22)36-29(27)35-19-24-15-9-4-10-16-24/h2-16,25-29H,17-20H2,1H3,(H,31,32)/t25-,26+,27?,28+,29+/m1/s1
InChIKeyORJLIVANEREBDS-QRGVUDOSSA-N
MW493.58 g/mol
LogP4.57
Rot. Bonds11

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

N-[(2S,4R,5R,6R)-5-fluoro-2,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]acetamide (PubChem CID 134934033) has the molecular formula C29H32FNO5 and a molecular weight of 493.58 g/mol. Its IUPAC name is N-[(2S,4R,5R,6R)-5-fluoro-2,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]acetamide.

Molecular Properties

Compound NameN-[(2S,4R,5R,6R)-5-fluoro-2,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]acetamide
PubChem CID134934033
Molecular FormulaC29H32FNO5
Molecular Weight493.58 g/mol
Exact Mass493.23
IUPAC NameN-[(2S,4R,5R,6R)-5-fluoro-2,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]acetamide
SMILESCC(=O)NC1[C@@H](OCc2ccccc2)O[C@H](COCc2ccccc2)[C@H](F)[C@@H]1OCc1ccccc1
InChIInChI=1S/C29H32FNO5/c1-21(32)31-27-28(34-18-23-13-7-3-8-14-23)26(30)25(20-33-17-22-11-5-2-6-12-22)36-29(27)35-19-24-15-9-4-10-16-24/h2-16,25-29H,17-20H2,1H3,(H,31,32)/t25-,26+,27?,28+,29+/m1/s1
InChIKeyORJLIVANEREBDS-QRGVUDOSSA-N
XLogP4.57
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.58
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2S,4R,5R,6R)-5-fluoro-2,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]acetamide?
The IUPAC name of N-[(2S,4R,5R,6R)-5-fluoro-2,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]acetamide (CID 134934033) is N-[(2S,4R,5R,6R)-5-fluoro-2,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]acetamide.
What is the SMILES notation for N-[(2S,4R,5R,6R)-5-fluoro-2,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]acetamide?
The canonical SMILES for N-[(2S,4R,5R,6R)-5-fluoro-2,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]acetamide is CC(=O)NC1[C@@H](OCc2ccccc2)O[C@H](COCc2ccccc2)[C@H](F)[C@@H]1OCc1ccccc1.
What is the InChIKey of N-[(2S,4R,5R,6R)-5-fluoro-2,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]acetamide?
The InChIKey is ORJLIVANEREBDS-QRGVUDOSSA-N. The full InChI is InChI=1S/C29H32FNO5/c1-21(32)31-27-28(34-18-23-13-7-3-8-14-23)26(30)25(20-33-17-22-11-5-2-6-12-22)36-29(27)35-19-24-15-9-4-10-16-24/h2-16,25-29H,17-20H2,1H3,(H,31,32)/t25-,26+,27?,28+,29+/m1/s1.
What are the key properties of N-[(2S,4R,5R,6R)-5-fluoro-2,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]acetamide?
N-[(2S,4R,5R,6R)-5-fluoro-2,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]acetamide has a molecular weight of 493.58 g/mol, XLogP of 4.57, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,4R,5R,6R)-5-fluoro-2,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]acetamide is sourced from PubChem (CID 134934033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).