N-[(2S,3R,4R,5S,6S)-6-(fluoromethyl)-2,4,5-tris(phenylmethoxy)oxan-3-yl]acetamide

C29H32FNO5 — CID 14017608

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

About N-[(2S,3R,4R,5S,6S)-6-(fluoromethyl)-2,4,5-tris(phenylmethoxy)oxan-3-yl]acetamide

N-[(2S,3R,4R,5S,6S)-6-(fluoromethyl)-2,4,5-tris(phenylmethoxy)oxan-3-yl]acetamide (PubChem CID 14017608) has the molecular formula C29H32FNO5 and a molecular weight of 493.58 g/mol. Its IUPAC name is N-[(2S,3R,4R,5S,6S)-6-(fluoromethyl)-2,4,5-tris(phenylmethoxy)oxan-3-yl]acetamide.

Molecular Properties

Compound NameN-[(2S,3R,4R,5S,6S)-6-(fluoromethyl)-2,4,5-tris(phenylmethoxy)oxan-3-yl]acetamide
PubChem CID14017608
Molecular FormulaC29H32FNO5
Molecular Weight493.58 g/mol
Exact Mass493.23
IUPAC NameN-[(2S,3R,4R,5S,6S)-6-(fluoromethyl)-2,4,5-tris(phenylmethoxy)oxan-3-yl]acetamide
SMILESCC(=O)N[C@H]1[C@@H](OCc2ccccc2)O[C@H](CF)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1
InChIInChI=1S/C29H32FNO5/c1-21(32)31-26-28(34-19-23-13-7-3-8-14-23)27(33-18-22-11-5-2-6-12-22)25(17-30)36-29(26)35-20-24-15-9-4-10-16-24/h2-16,25-29H,17-20H2,1H3,(H,31,32)/t25-,26-,27-,28-,29+/m1/s1
InChIKeyCNENJSGJNDRCHS-JPHCZMGXSA-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

Analyze N-[(2S,3R,4R,5S,6S)-6-(fluoromethyl)-2,4,5-tris(phenylmethoxy)oxan-3-yl]acetamide with MolForge

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Related Compounds

Benzyl 2-acetamido-2-deoxy-alpha-D-glucopyranoside
CID 2801971
Benzyl 2-acetamido-2-deoxy-3-O-beta-D-galactopyranosyl-alpha-D-galactopyranoside
CID 5288344
Deoxynojirimycin Tetrabenzyl Ether
CID 11027759
benzyl N-acetyl-alpha-D-galactosaminide
CID 122253
Acetic acid 3-acetoxy-2-acetoxymethyl-5-acetylamino-6-benzyloxy-tetrahydro-pyran-4-yl ester
CID 538461
disodium;[(2S,3R,4R,5S,6R)-6-[(E,2S,3R)-2-(hexadecanoylamino)-3-phenylmethoxyoctadec-4-enoxy]-4,5-bis(phenylmethoxy)-2-(sulfonatooxymethyl)oxan-3-yl] sulfate
CID 90664091
alpha-Normuramic acid, N-acetyl-1-O-(phenylmethyl)-4,6-O-(phenylmethylene)-(9CI)
CID 3123213
Benzyl N-acetylglucosamine
CID 561184
Benzyl 2-Acetamido-2-deoxy-beta-D-glucopyranoside
CID 7067537
2-Acetamido-4,6-o-benzylidene-2-deoxy-D-glucopyranose
CID 15612534
[5-Acetamido-4-acetyloxy-2-(hydroxymethyl)-6-phenylmethoxyoxan-3-yl] acetate
CID 4332273
((3R,5R,6R)-4-Benzyloxy-3,5-dihydroxy-6-methoxy-tetrahydro-pyran-2-ylmethyl)-carbamic acid benzyl ester
CID 44294948

Frequently Asked Questions

What is the IUPAC name of N-[(2S,3R,4R,5S,6S)-6-(fluoromethyl)-2,4,5-tris(phenylmethoxy)oxan-3-yl]acetamide?
The IUPAC name of N-[(2S,3R,4R,5S,6S)-6-(fluoromethyl)-2,4,5-tris(phenylmethoxy)oxan-3-yl]acetamide (CID 14017608) is N-[(2S,3R,4R,5S,6S)-6-(fluoromethyl)-2,4,5-tris(phenylmethoxy)oxan-3-yl]acetamide.
What is the SMILES notation for N-[(2S,3R,4R,5S,6S)-6-(fluoromethyl)-2,4,5-tris(phenylmethoxy)oxan-3-yl]acetamide?
The canonical SMILES for N-[(2S,3R,4R,5S,6S)-6-(fluoromethyl)-2,4,5-tris(phenylmethoxy)oxan-3-yl]acetamide is CC(=O)N[C@H]1[C@@H](OCc2ccccc2)O[C@H](CF)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1.
What is the InChIKey of N-[(2S,3R,4R,5S,6S)-6-(fluoromethyl)-2,4,5-tris(phenylmethoxy)oxan-3-yl]acetamide?
The InChIKey is CNENJSGJNDRCHS-JPHCZMGXSA-N. The full InChI is InChI=1S/C29H32FNO5/c1-21(32)31-26-28(34-19-23-13-7-3-8-14-23)27(33-18-22-11-5-2-6-12-22)25(17-30)36-29(26)35-20-24-15-9-4-10-16-24/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,3R,4R,5S,6S)-6-(fluoromethyl)-2,4,5-tris(phenylmethoxy)oxan-3-yl]acetamide?
N-[(2S,3R,4R,5S,6S)-6-(fluoromethyl)-2,4,5-tris(phenylmethoxy)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,3R,4R,5S,6S)-6-(fluoromethyl)-2,4,5-tris(phenylmethoxy)oxan-3-yl]acetamide is sourced from PubChem (CID 14017608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).