N-[(2R,3R,4S,5R,6S)-4,5-dihydroxy-6-(hydroxymethyl)-2-phenylmethoxyoxan-3-yl]-2,2,2-trifluoroacetamide

C15H18F3NO6 — CID 125035200

IUPACN-[(2R,3R,4S,5R,6S)-4,5-dihydroxy-6-(hydroxymethyl)-2-phenylmethoxyoxan-3-yl]-2,2,2-trifluoroacetamide
SMILESO=C(N[C@H]1[C@H](OCc2ccccc2)O[C@@H](CO)[C@H](O)[C@H]1O)C(F)(F)F
InChIInChI=1S/C15H18F3NO6/c16-15(17,18)14(23)19-10-12(22)11(21)9(6-20)25-13(10)24-7-8-4-2-1-3-5-8/h1-5,9-13,20-22H,6-7H2,(H,19,23)/t9-,10+,11-,12-,13+/m0/s1
InChIKeyODWVAEKVYDDEDH-FPYNETTCSA-N
MW365.30 g/mol
LogP-0.31
Rot. Bonds5

About N-[(2R,3R,4S,5R,6S)-4,5-dihydroxy-6-(hydroxymethyl)-2-phenylmethoxyoxan-3-yl]-2,2,2-trifluoroacetamide

N-[(2R,3R,4S,5R,6S)-4,5-dihydroxy-6-(hydroxymethyl)-2-phenylmethoxyoxan-3-yl]-2,2,2-trifluoroacetamide (PubChem CID 125035200) has the molecular formula C15H18F3NO6 and a molecular weight of 365.30 g/mol. Its IUPAC name is N-[(2R,3R,4S,5R,6S)-4,5-dihydroxy-6-(hydroxymethyl)-2-phenylmethoxyoxan-3-yl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[(2R,3R,4S,5R,6S)-4,5-dihydroxy-6-(hydroxymethyl)-2-phenylmethoxyoxan-3-yl]-2,2,2-trifluoroacetamide
PubChem CID125035200
Molecular FormulaC15H18F3NO6
Molecular Weight365.30 g/mol
Exact Mass365.11
IUPAC NameN-[(2R,3R,4S,5R,6S)-4,5-dihydroxy-6-(hydroxymethyl)-2-phenylmethoxyoxan-3-yl]-2,2,2-trifluoroacetamide
SMILESO=C(N[C@H]1[C@H](OCc2ccccc2)O[C@@H](CO)[C@H](O)[C@H]1O)C(F)(F)F
InChIInChI=1S/C15H18F3NO6/c16-15(17,18)14(23)19-10-12(22)11(21)9(6-20)25-13(10)24-7-8-4-2-1-3-5-8/h1-5,9-13,20-22H,6-7H2,(H,19,23)/t9-,10+,11-,12-,13+/m0/s1
InChIKeyODWVAEKVYDDEDH-FPYNETTCSA-N
XLogP-0.31
TPSA108.25 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.30
LogP ≤ 5-0.31
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2R,3R,4S,5R,6S)-4,5-dihydroxy-6-(hydroxymethyl)-2-phenylmethoxyoxan-3-yl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[(2R,3R,4S,5R,6S)-4,5-dihydroxy-6-(hydroxymethyl)-2-phenylmethoxyoxan-3-yl]-2,2,2-trifluoroacetamide (CID 125035200) is N-[(2R,3R,4S,5R,6S)-4,5-dihydroxy-6-(hydroxymethyl)-2-phenylmethoxyoxan-3-yl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[(2R,3R,4S,5R,6S)-4,5-dihydroxy-6-(hydroxymethyl)-2-phenylmethoxyoxan-3-yl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[(2R,3R,4S,5R,6S)-4,5-dihydroxy-6-(hydroxymethyl)-2-phenylmethoxyoxan-3-yl]-2,2,2-trifluoroacetamide is O=C(N[C@H]1[C@H](OCc2ccccc2)O[C@@H](CO)[C@H](O)[C@H]1O)C(F)(F)F.
What is the InChIKey of N-[(2R,3R,4S,5R,6S)-4,5-dihydroxy-6-(hydroxymethyl)-2-phenylmethoxyoxan-3-yl]-2,2,2-trifluoroacetamide?
The InChIKey is ODWVAEKVYDDEDH-FPYNETTCSA-N. The full InChI is InChI=1S/C15H18F3NO6/c16-15(17,18)14(23)19-10-12(22)11(21)9(6-20)25-13(10)24-7-8-4-2-1-3-5-8/h1-5,9-13,20-22H,6-7H2,(H,19,23)/t9-,10+,11-,12-,13+/m0/s1.
What are the key properties of N-[(2R,3R,4S,5R,6S)-4,5-dihydroxy-6-(hydroxymethyl)-2-phenylmethoxyoxan-3-yl]-2,2,2-trifluoroacetamide?
N-[(2R,3R,4S,5R,6S)-4,5-dihydroxy-6-(hydroxymethyl)-2-phenylmethoxyoxan-3-yl]-2,2,2-trifluoroacetamide has a molecular weight of 365.30 g/mol, XLogP of -0.31, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,3R,4S,5R,6S)-4,5-dihydroxy-6-(hydroxymethyl)-2-phenylmethoxyoxan-3-yl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 125035200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).