(2R,3R)-4,4-difluoro-2-(hydroxymethyl)-5-tri(propan-2-yl)silyloxyoxolan-3-ol

C14H28F2O4Si — CID 71602128

IUPAC(2R,3R)-4,4-difluoro-2-(hydroxymethyl)-5-tri(propan-2-yl)silyloxyoxolan-3-ol
SMILESCC(C)[Si](OC1O[C@H](CO)[C@@H](O)C1(F)F)(C(C)C)C(C)C
InChIInChI=1S/C14H28F2O4Si/c1-8(2)21(9(3)4,10(5)6)20-13-14(15,16)12(18)11(7-17)19-13/h8-13,17-18H,7H2,1-6H3/t11-,12-,13?/m1/s1
InChIKeySYXCKXBETDEREL-ZNRZSNADSA-N
MW326.46 g/mol
LogP2.89
Rot. Bonds6

About (2R,3R)-4,4-difluoro-2-(hydroxymethyl)-5-tri(propan-2-yl)silyloxyoxolan-3-ol

(2R,3R)-4,4-difluoro-2-(hydroxymethyl)-5-tri(propan-2-yl)silyloxyoxolan-3-ol (PubChem CID 71602128) has the molecular formula C14H28F2O4Si and a molecular weight of 326.46 g/mol. Its IUPAC name is (2R,3R)-4,4-difluoro-2-(hydroxymethyl)-5-tri(propan-2-yl)silyloxyoxolan-3-ol.

Molecular Properties

Compound Name(2R,3R)-4,4-difluoro-2-(hydroxymethyl)-5-tri(propan-2-yl)silyloxyoxolan-3-ol
PubChem CID71602128
Molecular FormulaC14H28F2O4Si
Molecular Weight326.46 g/mol
Exact Mass326.17
IUPAC Name(2R,3R)-4,4-difluoro-2-(hydroxymethyl)-5-tri(propan-2-yl)silyloxyoxolan-3-ol
SMILESCC(C)[Si](OC1O[C@H](CO)[C@@H](O)C1(F)F)(C(C)C)C(C)C
InChIInChI=1S/C14H28F2O4Si/c1-8(2)21(9(3)4,10(5)6)20-13-14(15,16)12(18)11(7-17)19-13/h8-13,17-18H,7H2,1-6H3/t11-,12-,13?/m1/s1
InChIKeySYXCKXBETDEREL-ZNRZSNADSA-N
XLogP2.89
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.46
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(4R,5R)-3,3-difluoro-5-(hydroxymethyl)oxolane-2,4-diol
CID 14057748
(4R)-4-fluoro-2-(hydroxymethyl)-5-methoxy-4-methyloxolan-3-ol
CID 68979706
4-amino-1-[(2S,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxypyrimidin-2-one
CID 66734989
(3R,4S)-2-(hydroxymethyl)-4-tri(propan-2-yl)silyloxy-3,4-dihydro-2H-pyran-3-ol
CID 172642176
methyl (2S)-2-[[[(2S,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-phenoxyphosphoryl]amino]propanoate
CID 73351994
(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-2-methoxy-3,4-dimethyloxane-3,4,5-triol
CID 22887228
(4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolane-2-sulfonate
CID 22848233
[(2R,3R,4R,5R,6R)-6-(2-trimethylsilylethynyl)-3,4,5-tris[tri(propan-2-yl)silyloxy]oxan-2-yl]methanol
CID 90354928
(2R,5S,6R)-3,3,4,4-tetrafluoro-6-(hydroxymethyl)oxane-2,5-diol
CID 131865258
methyl (2S)-2-[[[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-naphthalen-1-yloxyphosphoryl]amino]propanoate
CID 71601409
3,3-difluoro-6-(hydroxymethyl)oxane-2,4,5-triol
CID 58092357
[(2S,3S,4S,5S,6R)-3,4-dimethyl-6-(2-trimethylsilylethynyl)-5-tri(propan-2-yl)silyloxyoxan-2-yl]methanol
CID 90365497

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-4,4-difluoro-2-(hydroxymethyl)-5-tri(propan-2-yl)silyloxyoxolan-3-ol?
The IUPAC name of (2R,3R)-4,4-difluoro-2-(hydroxymethyl)-5-tri(propan-2-yl)silyloxyoxolan-3-ol (CID 71602128) is (2R,3R)-4,4-difluoro-2-(hydroxymethyl)-5-tri(propan-2-yl)silyloxyoxolan-3-ol.
What is the SMILES notation for (2R,3R)-4,4-difluoro-2-(hydroxymethyl)-5-tri(propan-2-yl)silyloxyoxolan-3-ol?
The canonical SMILES for (2R,3R)-4,4-difluoro-2-(hydroxymethyl)-5-tri(propan-2-yl)silyloxyoxolan-3-ol is CC(C)[Si](OC1O[C@H](CO)[C@@H](O)C1(F)F)(C(C)C)C(C)C.
What is the InChIKey of (2R,3R)-4,4-difluoro-2-(hydroxymethyl)-5-tri(propan-2-yl)silyloxyoxolan-3-ol?
The InChIKey is SYXCKXBETDEREL-ZNRZSNADSA-N. The full InChI is InChI=1S/C14H28F2O4Si/c1-8(2)21(9(3)4,10(5)6)20-13-14(15,16)12(18)11(7-17)19-13/h8-13,17-18H,7H2,1-6H3/t11-,12-,13?/m1/s1.
What are the key properties of (2R,3R)-4,4-difluoro-2-(hydroxymethyl)-5-tri(propan-2-yl)silyloxyoxolan-3-ol?
(2R,3R)-4,4-difluoro-2-(hydroxymethyl)-5-tri(propan-2-yl)silyloxyoxolan-3-ol has a molecular weight of 326.46 g/mol, XLogP of 2.89, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-4,4-difluoro-2-(hydroxymethyl)-5-tri(propan-2-yl)silyloxyoxolan-3-ol is sourced from PubChem (CID 71602128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).