(2S,3R,4R,5S,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-fluoro-2-prop-2-enoxyoxane-3,4-diol

C25H33FO5Si — CID 140966523

IUPAC(2S,3R,4R,5S,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-fluoro-2-prop-2-enoxyoxane-3,4-diol
SMILESC=CCO[C@H]1O[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H](F)[C@H](O)[C@H]1O
InChIInChI=1S/C25H33FO5Si/c1-5-16-29-24-23(28)22(27)21(26)20(31-24)17-30-32(25(2,3)4,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h5-15,20-24,27-28H,1,16-17H2,2-4H3/t20-,21-,22+,23-,24+/m1/s1
InChIKeyJSXCBNXSWNRGMM-SJSRKZJXSA-N
MW460.62 g/mol
LogP2.55
Rot. Bonds8

About (2S,3R,4R,5S,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-fluoro-2-prop-2-enoxyoxane-3,4-diol

(2S,3R,4R,5S,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-fluoro-2-prop-2-enoxyoxane-3,4-diol (PubChem CID 140966523) has the molecular formula C25H33FO5Si and a molecular weight of 460.62 g/mol. Its IUPAC name is (2S,3R,4R,5S,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-fluoro-2-prop-2-enoxyoxane-3,4-diol.

Molecular Properties

Compound Name(2S,3R,4R,5S,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-fluoro-2-prop-2-enoxyoxane-3,4-diol
PubChem CID140966523
Molecular FormulaC25H33FO5Si
Molecular Weight460.62 g/mol
Exact Mass460.21
IUPAC Name(2S,3R,4R,5S,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-fluoro-2-prop-2-enoxyoxane-3,4-diol
SMILESC=CCO[C@H]1O[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H](F)[C@H](O)[C@H]1O
InChIInChI=1S/C25H33FO5Si/c1-5-16-29-24-23(28)22(27)21(26)20(31-24)17-30-32(25(2,3)4,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h5-15,20-24,27-28H,1,16-17H2,2-4H3/t20-,21-,22+,23-,24+/m1/s1
InChIKeyJSXCBNXSWNRGMM-SJSRKZJXSA-N
XLogP2.55
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.62
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2R,3R,4S,5R,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxyoxane-3,4,5-triol
CID 11059112
(2S,3R,4R,5S,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxyoxane-3,4,5-triol
CID 124925214
2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxyoxane-3,4,5-triol
CID 3319542
(1R)-1-[(2S,3S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]oxiran-2-yl]but-3-en-1-ol
CID 10905059
(1S)-1-[(2S,3S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]oxiran-2-yl]but-3-en-1-ol
CID 14824006
(2S,4R,5R)-2-[(3R,4S,6R)-5-[(2R,3R,5R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-hydroxy-4,5-bis(phenylmethoxy)oxan-2-yl]oxy-2,3,4-tris(phenylmethoxy)-6-prop-2-enoxycyclohexyl]oxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-ol
CID 89005943
(2S,4R,5S)-2-[(3S,4S,6R)-5-[(2R,3R,5R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-hydroxy-4,5-bis(phenylmethoxy)oxan-2-yl]oxy-2,3,4-tris(phenylmethoxy)-6-prop-2-enoxycyclohexyl]oxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-ol
CID 59583834
2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-phenoxyoxane-3,4,5-triol
CID 134846505
(2S,3R,4R,5R,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxy-3,5-dimethyloxan-4-ol
CID 10938882
(2R,3S,4S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-ethoxyoxane-3,4-diol
CID 11683418
tert-butyl-[[(2S,3S,4S,5R)-4-methyl-2,5-bis(prop-2-enyl)oxolan-3-yl]methoxy]-diphenylsilane
CID 11327994
N-[(2R,3R,4R,5R,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4,5-dihydroxy-2-prop-2-enyloxan-3-yl]acetamide
CID 11518669

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4R,5S,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-fluoro-2-prop-2-enoxyoxane-3,4-diol?
The IUPAC name of (2S,3R,4R,5S,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-fluoro-2-prop-2-enoxyoxane-3,4-diol (CID 140966523) is (2S,3R,4R,5S,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-fluoro-2-prop-2-enoxyoxane-3,4-diol.
What is the SMILES notation for (2S,3R,4R,5S,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-fluoro-2-prop-2-enoxyoxane-3,4-diol?
The canonical SMILES for (2S,3R,4R,5S,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-fluoro-2-prop-2-enoxyoxane-3,4-diol is C=CCO[C@H]1O[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H](F)[C@H](O)[C@H]1O.
What is the InChIKey of (2S,3R,4R,5S,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-fluoro-2-prop-2-enoxyoxane-3,4-diol?
The InChIKey is JSXCBNXSWNRGMM-SJSRKZJXSA-N. The full InChI is InChI=1S/C25H33FO5Si/c1-5-16-29-24-23(28)22(27)21(26)20(31-24)17-30-32(25(2,3)4,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h5-15,20-24,27-28H,1,16-17H2,2-4H3/t20-,21-,22+,23-,24+/m1/s1.
What are the key properties of (2S,3R,4R,5S,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-fluoro-2-prop-2-enoxyoxane-3,4-diol?
(2S,3R,4R,5S,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-fluoro-2-prop-2-enoxyoxane-3,4-diol has a molecular weight of 460.62 g/mol, XLogP of 2.55, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4R,5S,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-fluoro-2-prop-2-enoxyoxane-3,4-diol is sourced from PubChem (CID 140966523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).