N-[(3R,4R,5R,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4,5-dihydroxyoxan-3-yl]-2,2,2-trifluoroacetamide

C24H30F3NO5Si — CID 170982771

IUPACN-[(3R,4R,5R,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4,5-dihydroxyoxan-3-yl]-2,2,2-trifluoroacetamide
SMILESCC(C)(C)[Si](OC[C@H]1OC[C@@H](NC(=O)C(F)(F)F)[C@@H](O)[C@H]1O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H30F3NO5Si/c1-23(2,3)34(16-10-6-4-7-11-16,17-12-8-5-9-13-17)33-15-19-21(30)20(29)18(14-32-19)28-22(31)24(25,26)27/h4-13,18-21,29-30H,14-15H2,1-3H3,(H,28,31)/t18-,19-,20-,21+/m1/s1
InChIKeyPNPZLSXQQVELKR-NCYKPQTJSA-N
MW497.59 g/mol
LogP1.73
Rot. Bonds6

About N-[(3R,4R,5R,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4,5-dihydroxyoxan-3-yl]-2,2,2-trifluoroacetamide

N-[(3R,4R,5R,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4,5-dihydroxyoxan-3-yl]-2,2,2-trifluoroacetamide (PubChem CID 170982771) has the molecular formula C24H30F3NO5Si and a molecular weight of 497.59 g/mol. Its IUPAC name is N-[(3R,4R,5R,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4,5-dihydroxyoxan-3-yl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[(3R,4R,5R,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4,5-dihydroxyoxan-3-yl]-2,2,2-trifluoroacetamide
PubChem CID170982771
Molecular FormulaC24H30F3NO5Si
Molecular Weight497.59 g/mol
Exact Mass497.18
IUPAC NameN-[(3R,4R,5R,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4,5-dihydroxyoxan-3-yl]-2,2,2-trifluoroacetamide
SMILESCC(C)(C)[Si](OC[C@H]1OC[C@@H](NC(=O)C(F)(F)F)[C@@H](O)[C@H]1O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H30F3NO5Si/c1-23(2,3)34(16-10-6-4-7-11-16,17-12-8-5-9-13-17)33-15-19-21(30)20(29)18(14-32-19)28-22(31)24(25,26)27/h4-13,18-21,29-30H,14-15H2,1-3H3,(H,28,31)/t18-,19-,20-,21+/m1/s1
InChIKeyPNPZLSXQQVELKR-NCYKPQTJSA-N
XLogP1.73
TPSA88.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.59
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(3R,4R,5R,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4,5-dihydroxyoxan-3-yl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[(3R,4R,5R,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4,5-dihydroxyoxan-3-yl]-2,2,2-trifluoroacetamide (CID 170982771) is N-[(3R,4R,5R,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4,5-dihydroxyoxan-3-yl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[(3R,4R,5R,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4,5-dihydroxyoxan-3-yl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[(3R,4R,5R,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4,5-dihydroxyoxan-3-yl]-2,2,2-trifluoroacetamide is CC(C)(C)[Si](OC[C@H]1OC[C@@H](NC(=O)C(F)(F)F)[C@@H](O)[C@H]1O)(c1ccccc1)c1ccccc1.
What is the InChIKey of N-[(3R,4R,5R,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4,5-dihydroxyoxan-3-yl]-2,2,2-trifluoroacetamide?
The InChIKey is PNPZLSXQQVELKR-NCYKPQTJSA-N. The full InChI is InChI=1S/C24H30F3NO5Si/c1-23(2,3)34(16-10-6-4-7-11-16,17-12-8-5-9-13-17)33-15-19-21(30)20(29)18(14-32-19)28-22(31)24(25,26)27/h4-13,18-21,29-30H,14-15H2,1-3H3,(H,28,31)/t18-,19-,20-,21+/m1/s1.
What are the key properties of N-[(3R,4R,5R,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4,5-dihydroxyoxan-3-yl]-2,2,2-trifluoroacetamide?
N-[(3R,4R,5R,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4,5-dihydroxyoxan-3-yl]-2,2,2-trifluoroacetamide has a molecular weight of 497.59 g/mol, XLogP of 1.73, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4R,5R,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4,5-dihydroxyoxan-3-yl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 170982771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).