[(2R,3R,4R,5R,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-3-fluoro-6-prop-2-enoxyoxan-2-yl]methoxy-tert-butyl-dimethylsilane

C27H57FO5Si3 — CID 140966535

IUPAC[(2R,3R,4R,5R,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-3-fluoro-6-prop-2-enoxyoxan-2-yl]methoxy-tert-butyl-dimethylsilane
SMILESC=CCO[C@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](F)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C27H57FO5Si3/c1-17-18-29-24-23(33-36(15,16)27(8,9)10)22(32-35(13,14)26(5,6)7)21(28)20(31-24)19-30-34(11,12)25(2,3)4/h17,20-24H,1,18-19H2,2-16H3/t20-,21-,22+,23-,24+/m1/s1
InChIKeyPURVYKQYRCVZBC-SJSRKZJXSA-N
MW565.00 g/mol
LogP8.05
Rot. Bonds10

About [(2R,3R,4R,5R,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-3-fluoro-6-prop-2-enoxyoxan-2-yl]methoxy-tert-butyl-dimethylsilane

[(2R,3R,4R,5R,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-3-fluoro-6-prop-2-enoxyoxan-2-yl]methoxy-tert-butyl-dimethylsilane (PubChem CID 140966535) has the molecular formula C27H57FO5Si3 and a molecular weight of 565.00 g/mol. Its IUPAC name is [(2R,3R,4R,5R,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-3-fluoro-6-prop-2-enoxyoxan-2-yl]methoxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(2R,3R,4R,5R,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-3-fluoro-6-prop-2-enoxyoxan-2-yl]methoxy-tert-butyl-dimethylsilane
PubChem CID140966535
Molecular FormulaC27H57FO5Si3
Molecular Weight565.00 g/mol
Exact Mass564.35
IUPAC Name[(2R,3R,4R,5R,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-3-fluoro-6-prop-2-enoxyoxan-2-yl]methoxy-tert-butyl-dimethylsilane
SMILESC=CCO[C@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](F)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C27H57FO5Si3/c1-17-18-29-24-23(33-36(15,16)27(8,9)10)22(32-35(13,14)26(5,6)7)21(28)20(31-24)19-30-34(11,12)25(2,3)4/h17,20-24H,1,18-19H2,2-16H3/t20-,21-,22+,23-,24+/m1/s1
InChIKeyPURVYKQYRCVZBC-SJSRKZJXSA-N
XLogP8.05
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500565.00
LogP ≤ 58.05
H-Bond Donors ≤ 50
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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Frequently Asked Questions

What is the IUPAC name of [(2R,3R,4R,5R,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-3-fluoro-6-prop-2-enoxyoxan-2-yl]methoxy-tert-butyl-dimethylsilane?
The IUPAC name of [(2R,3R,4R,5R,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-3-fluoro-6-prop-2-enoxyoxan-2-yl]methoxy-tert-butyl-dimethylsilane (CID 140966535) is [(2R,3R,4R,5R,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-3-fluoro-6-prop-2-enoxyoxan-2-yl]methoxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(2R,3R,4R,5R,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-3-fluoro-6-prop-2-enoxyoxan-2-yl]methoxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(2R,3R,4R,5R,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-3-fluoro-6-prop-2-enoxyoxan-2-yl]methoxy-tert-butyl-dimethylsilane is C=CCO[C@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](F)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(2R,3R,4R,5R,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-3-fluoro-6-prop-2-enoxyoxan-2-yl]methoxy-tert-butyl-dimethylsilane?
The InChIKey is PURVYKQYRCVZBC-SJSRKZJXSA-N. The full InChI is InChI=1S/C27H57FO5Si3/c1-17-18-29-24-23(33-36(15,16)27(8,9)10)22(32-35(13,14)26(5,6)7)21(28)20(31-24)19-30-34(11,12)25(2,3)4/h17,20-24H,1,18-19H2,2-16H3/t20-,21-,22+,23-,24+/m1/s1.
What are the key properties of [(2R,3R,4R,5R,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-3-fluoro-6-prop-2-enoxyoxan-2-yl]methoxy-tert-butyl-dimethylsilane?
[(2R,3R,4R,5R,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-3-fluoro-6-prop-2-enoxyoxan-2-yl]methoxy-tert-butyl-dimethylsilane has a molecular weight of 565.00 g/mol, XLogP of 8.05, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R,4R,5R,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-3-fluoro-6-prop-2-enoxyoxan-2-yl]methoxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 140966535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).