1,1,1-trifluoro-N-[[(2R,3R,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methyl]methanesulfonamide

C29H32F3NO7S — CID 24770624

IUPAC1,1,1-trifluoro-N-[[(2R,3R,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methyl]methanesulfonamide
SMILESCO[C@H]1O[C@H](CNS(=O)(=O)C(F)(F)F)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1
InChIInChI=1S/C29H32F3NO7S/c1-36-28-27(39-20-23-15-9-4-10-16-23)26(38-19-22-13-7-3-8-14-22)25(37-18-21-11-5-2-6-12-21)24(40-28)17-33-41(34,35)29(30,31)32/h2-16,24-28,33H,17-20H2,1H3/t24-,25-,26+,27-,28+/m1/s1
InChIKeyAYNZUYWCGXXXEJ-DFLSAPQXSA-N
MW595.64 g/mol
LogP4.55
Rot. Bonds13

About 1,1,1-trifluoro-N-[[(2R,3R,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methyl]methanesulfonamide

1,1,1-trifluoro-N-[[(2R,3R,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methyl]methanesulfonamide (PubChem CID 24770624) has the molecular formula C29H32F3NO7S and a molecular weight of 595.64 g/mol. Its IUPAC name is 1,1,1-trifluoro-N-[[(2R,3R,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methyl]methanesulfonamide.

Molecular Properties

Compound Name1,1,1-trifluoro-N-[[(2R,3R,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methyl]methanesulfonamide
PubChem CID24770624
Molecular FormulaC29H32F3NO7S
Molecular Weight595.64 g/mol
Exact Mass595.19
IUPAC Name1,1,1-trifluoro-N-[[(2R,3R,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methyl]methanesulfonamide
SMILESCO[C@H]1O[C@H](CNS(=O)(=O)C(F)(F)F)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1
InChIInChI=1S/C29H32F3NO7S/c1-36-28-27(39-20-23-15-9-4-10-16-23)26(38-19-22-13-7-3-8-14-22)25(37-18-21-11-5-2-6-12-21)24(40-28)17-33-41(34,35)29(30,31)32/h2-16,24-28,33H,17-20H2,1H3/t24-,25-,26+,27-,28+/m1/s1
InChIKeyAYNZUYWCGXXXEJ-DFLSAPQXSA-N
XLogP4.55
TPSA92.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500595.64
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1,1,1-trifluoro-N-[[(2R,3R,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methyl]methanesulfonamide with MolForge

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Launch Full Analysis

Related Compounds

[(2R,3R,4R,5R,6R)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methanol
CID 23245862
[(2S,3R,4S,5R,6R)-2-[(2R,3R,4S,5R,6S)-6-methoxy-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxan-3-yl]oxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl] trifluoromethanesulfonate
CID 102122168
(2S,3R,4S,5R,6S)-2-(iodomethyl)-6-methoxy-3,4,5-tris(phenylmethoxy)oxane
CID 11330611
[(2R,3R,4R)-5-methoxy-3,4-bis(phenylmethoxy)oxolan-2-yl]methanol
CID 101100529
(2R,3S,4S,5R,6S)-2-ethyl-6-methoxy-3,4,5-tris(phenylmethoxy)oxane
CID 102391808
2-[(2R,3R,4S,5R,6R)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]ethanol
CID 67629587
(2S,3S,4S,5R,6R)-2-methoxy-6-(methoxymethyl)-3,4,5-tris(phenylmethoxy)oxane
CID 67155731
(2S,3S,4S,5S,6S)-2-methoxy-6-[[(2S,3S,4R,5R,6R)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methylsulfanylmethyl]-3,4,5-tris(phenylmethoxy)oxane
CID 50906249
[(2R,3R,4S,5R,6R)-6-[(2R,3R,4S,5R,6R)-6-methoxy-4,5-bis(phenylmethoxy)-2-(sulfooxymethyl)oxan-3-yl]oxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methyl hydrogen sulfate
CID 10843659
[(2R,3R,4S,5R,6S)-6-[(2R,3R,4S,5R,6R)-2-methoxy-3,5-bis(phenylmethoxy)-6-(sulfooxymethyl)oxan-4-yl]oxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methyl hydrogen sulfate
CID 10534027
3-[(2R,3R,4S,5S,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]propanoic acid
CID 100978536
(2R,3R,5R,6S)-2-[[(3S,4R,5S,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-3-(trifluoromethyl)oxan-2-yl]oxymethyl]-6-methoxy-3,4,5-tris(phenylmethoxy)oxane
CID 175999132

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-N-[[(2R,3R,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methyl]methanesulfonamide?
The IUPAC name of 1,1,1-trifluoro-N-[[(2R,3R,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methyl]methanesulfonamide (CID 24770624) is 1,1,1-trifluoro-N-[[(2R,3R,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methyl]methanesulfonamide.
What is the SMILES notation for 1,1,1-trifluoro-N-[[(2R,3R,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methyl]methanesulfonamide?
The canonical SMILES for 1,1,1-trifluoro-N-[[(2R,3R,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methyl]methanesulfonamide is CO[C@H]1O[C@H](CNS(=O)(=O)C(F)(F)F)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1.
What is the InChIKey of 1,1,1-trifluoro-N-[[(2R,3R,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methyl]methanesulfonamide?
The InChIKey is AYNZUYWCGXXXEJ-DFLSAPQXSA-N. The full InChI is InChI=1S/C29H32F3NO7S/c1-36-28-27(39-20-23-15-9-4-10-16-23)26(38-19-22-13-7-3-8-14-22)25(37-18-21-11-5-2-6-12-21)24(40-28)17-33-41(34,35)29(30,31)32/h2-16,24-28,33H,17-20H2,1H3/t24-,25-,26+,27-,28+/m1/s1.
What are the key properties of 1,1,1-trifluoro-N-[[(2R,3R,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methyl]methanesulfonamide?
1,1,1-trifluoro-N-[[(2R,3R,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methyl]methanesulfonamide has a molecular weight of 595.64 g/mol, XLogP of 4.55, 13 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-N-[[(2R,3R,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methyl]methanesulfonamide is sourced from PubChem (CID 24770624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).