(2R,3S,5S)-2-fluoro-3,4,5-tris[(4-methoxyphenyl)methoxy]-6-[(4-methoxyphenyl)methoxymethyl]oxane

C38H43FO9 — CID 45039283

IUPAC(2R,3S,5S)-2-fluoro-3,4,5-tris[(4-methoxyphenyl)methoxy]-6-[(4-methoxyphenyl)methoxymethyl]oxane
SMILESCOc1ccc(COCC2O[C@H](F)[C@@H](OCc3ccc(OC)cc3)C(OCc3ccc(OC)cc3)[C@H]2OCc2ccc(OC)cc2)cc1
InChIInChI=1S/C38H43FO9/c1-40-30-13-5-26(6-14-30)21-44-25-34-35(45-22-27-7-15-31(41-2)16-8-27)36(46-23-28-9-17-32(42-3)18-10-28)37(38(39)48-34)47-24-29-11-19-33(43-4)20-12-29/h5-20,34-38H,21-25H2,1-4H3/t34?,35-,36?,37-,38-/m0/s1
InChIKeyRJUZNXWKMPSCTC-GZLOPLGZSA-N
MW662.75 g/mol
LogP6.69
Rot. Bonds17

About (2R,3S,5S)-2-fluoro-3,4,5-tris[(4-methoxyphenyl)methoxy]-6-[(4-methoxyphenyl)methoxymethyl]oxane

(2R,3S,5S)-2-fluoro-3,4,5-tris[(4-methoxyphenyl)methoxy]-6-[(4-methoxyphenyl)methoxymethyl]oxane (PubChem CID 45039283) has the molecular formula C38H43FO9 and a molecular weight of 662.75 g/mol. Its IUPAC name is (2R,3S,5S)-2-fluoro-3,4,5-tris[(4-methoxyphenyl)methoxy]-6-[(4-methoxyphenyl)methoxymethyl]oxane.

Molecular Properties

Compound Name(2R,3S,5S)-2-fluoro-3,4,5-tris[(4-methoxyphenyl)methoxy]-6-[(4-methoxyphenyl)methoxymethyl]oxane
PubChem CID45039283
Molecular FormulaC38H43FO9
Molecular Weight662.75 g/mol
Exact Mass662.29
IUPAC Name(2R,3S,5S)-2-fluoro-3,4,5-tris[(4-methoxyphenyl)methoxy]-6-[(4-methoxyphenyl)methoxymethyl]oxane
SMILESCOc1ccc(COCC2O[C@H](F)[C@@H](OCc3ccc(OC)cc3)C(OCc3ccc(OC)cc3)[C@H]2OCc2ccc(OC)cc2)cc1
InChIInChI=1S/C38H43FO9/c1-40-30-13-5-26(6-14-30)21-44-25-34-35(45-22-27-7-15-31(41-2)16-8-27)36(46-23-28-9-17-32(42-3)18-10-28)37(38(39)48-34)47-24-29-11-19-33(43-4)20-12-29/h5-20,34-38H,21-25H2,1-4H3/t34?,35-,36?,37-,38-/m0/s1
InChIKeyRJUZNXWKMPSCTC-GZLOPLGZSA-N
XLogP6.69
TPSA83.07 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds17
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500662.75
LogP ≤ 56.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

(2S,3R,4S,5S,6R)-2-fluoro-4-[(4-methoxyphenyl)methoxy]-3,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 10951949
(2S,3R,4R)-3,4-bis[(4-methoxyphenyl)methoxy]-2-[(4-methoxyphenyl)methoxymethyl]-5-methyloxolane
CID 59994424
(2R,3R,4R,5S,6R)-2-fluoro-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 90920188
(2S,5R)-2-fluoro-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolane
CID 149274731
(2S,3R,4S,5R,6R)-3-[(4-methoxyphenyl)methoxy]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-ol
CID 171125035
(2R,3R,4S,5R,6R)-2-[[(2R,3S,4S,5R,6R)-3-[(4-methoxyphenyl)methoxy]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxymethyl]-3,4,5,6-tetrakis(phenylmethoxy)oxane
CID 10887663
(2R,3S,4S,5R,6R)-2-[(1R,2R,3S,4S,5R,6S)-2-[(4-methoxyphenyl)methoxy]-4,5,6-tris(phenylmethoxy)-3-prop-2-enoxycyclohexyl]oxy-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 11217034
(2R,3R,4S,5S,6R)-3-[(4-methoxyphenyl)methoxy]-2-methylsulfanyl-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 10864943
(2S,3S,4R,5R,6R)-2-ethenyl-3-[(4-methoxyphenyl)methoxy]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 25169660
(2R,3R,4S,5R,6R)-2-fluoro-3,4,5-tris(phenylmethoxy)-6-[[(2S,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxymethyl]oxane
CID 102466879
(2R,3R,4S,5R)-5-[(4-methoxyphenyl)methoxy]-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-6-phenylsulfanyloxane
CID 102575527
(2S,3R,4R,5R)-2-fluoro-3-methoxy-4-[(4-nitrophenyl)methoxy]-5-[(4-nitrophenyl)methoxymethyl]oxolane
CID 122232233

Frequently Asked Questions

What is the IUPAC name of (2R,3S,5S)-2-fluoro-3,4,5-tris[(4-methoxyphenyl)methoxy]-6-[(4-methoxyphenyl)methoxymethyl]oxane?
The IUPAC name of (2R,3S,5S)-2-fluoro-3,4,5-tris[(4-methoxyphenyl)methoxy]-6-[(4-methoxyphenyl)methoxymethyl]oxane (CID 45039283) is (2R,3S,5S)-2-fluoro-3,4,5-tris[(4-methoxyphenyl)methoxy]-6-[(4-methoxyphenyl)methoxymethyl]oxane.
What is the SMILES notation for (2R,3S,5S)-2-fluoro-3,4,5-tris[(4-methoxyphenyl)methoxy]-6-[(4-methoxyphenyl)methoxymethyl]oxane?
The canonical SMILES for (2R,3S,5S)-2-fluoro-3,4,5-tris[(4-methoxyphenyl)methoxy]-6-[(4-methoxyphenyl)methoxymethyl]oxane is COc1ccc(COCC2O[C@H](F)[C@@H](OCc3ccc(OC)cc3)C(OCc3ccc(OC)cc3)[C@H]2OCc2ccc(OC)cc2)cc1.
What is the InChIKey of (2R,3S,5S)-2-fluoro-3,4,5-tris[(4-methoxyphenyl)methoxy]-6-[(4-methoxyphenyl)methoxymethyl]oxane?
The InChIKey is RJUZNXWKMPSCTC-GZLOPLGZSA-N. The full InChI is InChI=1S/C38H43FO9/c1-40-30-13-5-26(6-14-30)21-44-25-34-35(45-22-27-7-15-31(41-2)16-8-27)36(46-23-28-9-17-32(42-3)18-10-28)37(38(39)48-34)47-24-29-11-19-33(43-4)20-12-29/h5-20,34-38H,21-25H2,1-4H3/t34?,35-,36?,37-,38-/m0/s1.
What are the key properties of (2R,3S,5S)-2-fluoro-3,4,5-tris[(4-methoxyphenyl)methoxy]-6-[(4-methoxyphenyl)methoxymethyl]oxane?
(2R,3S,5S)-2-fluoro-3,4,5-tris[(4-methoxyphenyl)methoxy]-6-[(4-methoxyphenyl)methoxymethyl]oxane has a molecular weight of 662.75 g/mol, XLogP of 6.69, 17 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,5S)-2-fluoro-3,4,5-tris[(4-methoxyphenyl)methoxy]-6-[(4-methoxyphenyl)methoxymethyl]oxane is sourced from PubChem (CID 45039283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).