(3R,4R,5R,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-fluoro-3,4-bis(phenylmethoxy)oxan-2-one

C36H39FO5Si — CID 140966529

IUPAC(3R,4R,5R,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-fluoro-3,4-bis(phenylmethoxy)oxan-2-one
SMILESCC(C)(C)[Si](OC[C@H]1OC(=O)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1F)(c1ccccc1)c1ccccc1
InChIInChI=1S/C36H39FO5Si/c1-36(2,3)43(29-20-12-6-13-21-29,30-22-14-7-15-23-30)41-26-31-32(37)33(39-24-27-16-8-4-9-17-27)34(35(38)42-31)40-25-28-18-10-5-11-19-28/h4-23,31-34H,24-26H2,1-3H3/t31-,32-,33+,34-/m1/s1
InChIKeyHJWJDRMCVHNECK-YVEASBDZSA-N
MW598.79 g/mol
LogP6.00
Rot. Bonds11

About (3R,4R,5R,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-fluoro-3,4-bis(phenylmethoxy)oxan-2-one

(3R,4R,5R,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-fluoro-3,4-bis(phenylmethoxy)oxan-2-one (PubChem CID 140966529) has the molecular formula C36H39FO5Si and a molecular weight of 598.79 g/mol. Its IUPAC name is (3R,4R,5R,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-fluoro-3,4-bis(phenylmethoxy)oxan-2-one.

Molecular Properties

Compound Name(3R,4R,5R,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-fluoro-3,4-bis(phenylmethoxy)oxan-2-one
PubChem CID140966529
Molecular FormulaC36H39FO5Si
Molecular Weight598.79 g/mol
Exact Mass598.26
IUPAC Name(3R,4R,5R,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-fluoro-3,4-bis(phenylmethoxy)oxan-2-one
SMILESCC(C)(C)[Si](OC[C@H]1OC(=O)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1F)(c1ccccc1)c1ccccc1
InChIInChI=1S/C36H39FO5Si/c1-36(2,3)43(29-20-12-6-13-21-29,30-22-14-7-15-23-30)41-26-31-32(37)33(39-24-27-16-8-4-9-17-27)34(35(38)42-31)40-25-28-18-10-5-11-19-28/h4-23,31-34H,24-26H2,1-3H3/t31-,32-,33+,34-/m1/s1
InChIKeyHJWJDRMCVHNECK-YVEASBDZSA-N
XLogP6.00
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500598.79
LogP ≤ 56.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (3R,4R,5R,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-fluoro-3,4-bis(phenylmethoxy)oxan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S,3S,4R,5S,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-phenylmethoxyoxane-2,3,4-triol
CID 171125092
(3R,4S,5S)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-one
CID 130757032
(1R,4S,5S)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-oxabicyclo[3.1.0]hexan-2-one
CID 11035946
(3S,4S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(phenylmethoxyamino)-3-propyloxolan-2-one
CID 11249365
(5S)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-one
CID 134832144
3,4,5-tris(phenylmethoxy)oxolan-2-one
CID 85325840
tert-butyl-diphenyl-[[(2R,3S,5R)-5-phenyl-3-phenylmethoxyoxolan-2-yl]methoxy]silane
CID 102482306
tert-butyl-diphenyl-[[(4R,5R)-2-phenyl-5-phenylmethoxy-1,3-dioxan-4-yl]methoxy]silane
CID 142503970
(3R,4S,5R)-3-[tert-butyl(diphenyl)silyl]oxy-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-ol
CID 171122175
[(2S,3R,4S,5R,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-iodo-4,5-bis(phenylmethoxy)oxan-2-yl] acetate
CID 101363384
CID 91298006
CID 91298006
(3R,4R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-hydroxy-4-methyloxolan-2-one
CID 11731767

Frequently Asked Questions

What is the IUPAC name of (3R,4R,5R,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-fluoro-3,4-bis(phenylmethoxy)oxan-2-one?
The IUPAC name of (3R,4R,5R,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-fluoro-3,4-bis(phenylmethoxy)oxan-2-one (CID 140966529) is (3R,4R,5R,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-fluoro-3,4-bis(phenylmethoxy)oxan-2-one.
What is the SMILES notation for (3R,4R,5R,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-fluoro-3,4-bis(phenylmethoxy)oxan-2-one?
The canonical SMILES for (3R,4R,5R,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-fluoro-3,4-bis(phenylmethoxy)oxan-2-one is CC(C)(C)[Si](OC[C@H]1OC(=O)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1F)(c1ccccc1)c1ccccc1.
What is the InChIKey of (3R,4R,5R,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-fluoro-3,4-bis(phenylmethoxy)oxan-2-one?
The InChIKey is HJWJDRMCVHNECK-YVEASBDZSA-N. The full InChI is InChI=1S/C36H39FO5Si/c1-36(2,3)43(29-20-12-6-13-21-29,30-22-14-7-15-23-30)41-26-31-32(37)33(39-24-27-16-8-4-9-17-27)34(35(38)42-31)40-25-28-18-10-5-11-19-28/h4-23,31-34H,24-26H2,1-3H3/t31-,32-,33+,34-/m1/s1.
What are the key properties of (3R,4R,5R,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-fluoro-3,4-bis(phenylmethoxy)oxan-2-one?
(3R,4R,5R,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-fluoro-3,4-bis(phenylmethoxy)oxan-2-one has a molecular weight of 598.79 g/mol, XLogP of 6.00, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R,5R,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-fluoro-3,4-bis(phenylmethoxy)oxan-2-one is sourced from PubChem (CID 140966529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).