bis((2R,3R,4S,5S,6R)-2-(1,1-difluoro-2,2-dimethylpropyl)-6-ethyl-5-methyl-3,4-bis(phenylmethoxy)oxane);(2R,3R,4S,5R,6R)-2-(1,1-difluoro-2,2-dimethylpropyl)-6-(hydroxymethyl)oxane-3,4,5-triol;(2R,3R,4S,5S,6R)-2-(1,1-difluoro-2-methylpropyl)-6-ethyl-5-methyl-3,4-bis(phenylmethoxy)oxane;(2R,3R,4S,5R,6R)-2-(1,1-difluoro-2-methylpropyl)-6-(hydroxymethyl)oxane-3,4,5-triol

C101H144F10O19 — CID 159395703

IUPACbis((2R,3R,4S,5S,6R)-2-(1,1-difluoro-2,2-dimethylpropyl)-6-ethyl-5-methyl-3,4-bis(phenylmethoxy)oxane);(2R,3R,4S,5R,6R)-2-(1,1-difluoro-2,2-dimethylpropyl)-6-(hydroxymethyl)oxane-3,4,5-triol;(2R,3R,4S,5S,6R)-2-(1,1-difluoro-2-methylpropyl)-6-ethyl-5-methyl-3,4-bis(phenylmethoxy)oxane;(2R,3R,4S,5R,6R)-2-(1,1-difluoro-2-methylpropyl)-6-(hydroxymethyl)oxane-3,4,5-triol
SMILESCC(C)(C)C(F)(F)[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O.CC(C)C(F)(F)[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O.CC[C@H]1O[C@@H](C(F)(F)C(C)(C)C)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@H]1C.CC[C@H]1O[C@@H](C(F)(F)C(C)(C)C)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@H]1C.CC[C@H]1O[C@@H](C(F)(F)C(C)C)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@H]1C
InChIInChI=1S/2C27H36F2O3.C26H34F2O3.C11H20F2O5.C10H18F2O5/c2*1-6-22-19(2)23(30-17-20-13-9-7-10-14-20)24(31-18-21-15-11-8-12-16-21)25(32-22)27(28,29)26(3,4)5;1-5-22-19(4)23(29-16-20-12-8-6-9-13-20)24(25(31-22)26(27,28)18(2)3)30-17-21-14-10-7-11-15-21;1-10(2,3)11(12,13)9-8(17)7(16)6(15)5(4-14)18-9;1-4(2)10(11,12)9-8(16)7(15)6(14)5(3-13)17-9/h2*7-16,19,22-25H,6,17-18H2,1-5H3;6-15,18-19,22-25H,5,16-17H2,1-4H3;5-9,14-17H,4H2,1-3H3;4-9,13-16H,3H2,1-2H3/t3*19-,22+,23-,24+,25+;2*5-,6+,7+,8-,9-/m00011/s1
InChIKeyLMRLGMSUNCWRBT-VKANTGCCSA-N
MW1852.22 g/mol
LogP18.20
Rot. Bonds30

About bis((2R,3R,4S,5S,6R)-2-(1,1-difluoro-2,2-dimethylpropyl)-6-ethyl-5-methyl-3,4-bis(phenylmethoxy)oxane);(2R,3R,4S,5R,6R)-2-(1,1-difluoro-2,2-dimethylpropyl)-6-(hydroxymethyl)oxane-3,4,5-triol;(2R,3R,4S,5S,6R)-2-(1,1-difluoro-2-methylpropyl)-6-ethyl-5-methyl-3,4-bis(phenylmethoxy)oxane;(2R,3R,4S,5R,6R)-2-(1,1-difluoro-2-methylpropyl)-6-(hydroxymethyl)oxane-3,4,5-triol

bis((2R,3R,4S,5S,6R)-2-(1,1-difluoro-2,2-dimethylpropyl)-6-ethyl-5-methyl-3,4-bis(phenylmethoxy)oxane);(2R,3R,4S,5R,6R)-2-(1,1-difluoro-2,2-dimethylpropyl)-6-(hydroxymethyl)oxane-3,4,5-triol;(2R,3R,4S,5S,6R)-2-(1,1-difluoro-2-methylpropyl)-6-ethyl-5-methyl-3,4-bis(phenylmethoxy)oxane;(2R,3R,4S,5R,6R)-2-(1,1-difluoro-2-methylpropyl)-6-(hydroxymethyl)oxane-3,4,5-triol (PubChem CID 159395703) has the molecular formula C101H144F10O19 and a molecular weight of 1852.22 g/mol. Its IUPAC name is bis((2R,3R,4S,5S,6R)-2-(1,1-difluoro-2,2-dimethylpropyl)-6-ethyl-5-methyl-3,4-bis(phenylmethoxy)oxane);(2R,3R,4S,5R,6R)-2-(1,1-difluoro-2,2-dimethylpropyl)-6-(hydroxymethyl)oxane-3,4,5-triol;(2R,3R,4S,5S,6R)-2-(1,1-difluoro-2-methylpropyl)-6-ethyl-5-methyl-3,4-bis(phenylmethoxy)oxane;(2R,3R,4S,5R,6R)-2-(1,1-difluoro-2-methylpropyl)-6-(hydroxymethyl)oxane-3,4,5-triol.

Molecular Properties

Compound Namebis((2R,3R,4S,5S,6R)-2-(1,1-difluoro-2,2-dimethylpropyl)-6-ethyl-5-methyl-3,4-bis(phenylmethoxy)oxane);(2R,3R,4S,5R,6R)-2-(1,1-difluoro-2,2-dimethylpropyl)-6-(hydroxymethyl)oxane-3,4,5-triol;(2R,3R,4S,5S,6R)-2-(1,1-difluoro-2-methylpropyl)-6-ethyl-5-methyl-3,4-bis(phenylmethoxy)oxane;(2R,3R,4S,5R,6R)-2-(1,1-difluoro-2-methylpropyl)-6-(hydroxymethyl)oxane-3,4,5-triol
PubChem CID159395703
Molecular FormulaC101H144F10O19
Molecular Weight1852.22 g/mol
Exact Mass1851.01
IUPAC Namebis((2R,3R,4S,5S,6R)-2-(1,1-difluoro-2,2-dimethylpropyl)-6-ethyl-5-methyl-3,4-bis(phenylmethoxy)oxane);(2R,3R,4S,5R,6R)-2-(1,1-difluoro-2,2-dimethylpropyl)-6-(hydroxymethyl)oxane-3,4,5-triol;(2R,3R,4S,5S,6R)-2-(1,1-difluoro-2-methylpropyl)-6-ethyl-5-methyl-3,4-bis(phenylmethoxy)oxane;(2R,3R,4S,5R,6R)-2-(1,1-difluoro-2-methylpropyl)-6-(hydroxymethyl)oxane-3,4,5-triol
SMILESCC(C)(C)C(F)(F)[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O.CC(C)C(F)(F)[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O.CC[C@H]1O[C@@H](C(F)(F)C(C)(C)C)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@H]1C.CC[C@H]1O[C@@H](C(F)(F)C(C)(C)C)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@H]1C.CC[C@H]1O[C@@H](C(F)(F)C(C)C)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@H]1C
InChIInChI=1S/2C27H36F2O3.C26H34F2O3.C11H20F2O5.C10H18F2O5/c2*1-6-22-19(2)23(30-17-20-13-9-7-10-14-20)24(31-18-21-15-11-8-12-16-21)25(32-22)27(28,29)26(3,4)5;1-5-22-19(4)23(29-16-20-12-8-6-9-13-20)24(25(31-22)26(27,28)18(2)3)30-17-21-14-10-7-11-15-21;1-10(2,3)11(12,13)9-8(17)7(16)6(15)5(4-14)18-9;1-4(2)10(11,12)9-8(16)7(15)6(14)5(3-13)17-9/h2*7-16,19,22-25H,6,17-18H2,1-5H3;6-15,18-19,22-25H,5,16-17H2,1-4H3;5-9,14-17H,4H2,1-3H3;4-9,13-16H,3H2,1-2H3/t3*19-,22+,23-,24+,25+;2*5-,6+,7+,8-,9-/m00011/s1
InChIKeyLMRLGMSUNCWRBT-VKANTGCCSA-N
XLogP18.20
TPSA263.37 Ų
H-Bond Donors8
H-Bond Acceptors19
Rotatable Bonds30
Heavy Atoms130
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001852.22
LogP ≤ 518.20
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1019

Analyze bis((2R,3R,4S,5S,6R)-2-(1,1-difluoro-2,2-dimethylpropyl)-6-ethyl-5-methyl-3,4-bis(phenylmethoxy)oxane);(2R,3R,4S,5R,6R)-2-(1,1-difluoro-2,2-dimethylpropyl)-6-(hydroxymethyl)oxane-3,4,5-triol;(2R,3R,4S,5S,6R)-2-(1,1-difluoro-2-methylpropyl)-6-ethyl-5-methyl-3,4-bis(phenylmethoxy)oxane;(2R,3R,4S,5R,6R)-2-(1,1-difluoro-2-methylpropyl)-6-(hydroxymethyl)oxane-3,4,5-triol with MolForge

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Launch Full Analysis

Related Compounds

2-O-[1-[(2R,3R,4S,5S,6R)-6-ethyl-5-methyl-3,4-bis(phenylmethoxy)oxan-2-yl]-1,1-difluoro-2-methylpropan-2-yl] 1-O-methyl oxalate
CID 118175457
(2R,3S,4S,5S,6S)-2-ethyl-3-methyl-6-(2-methylpropyl)-4,5-bis(phenylmethoxy)oxane
CID 118175463
1-ethoxy-2-[(2R,3R,4S,5S,6R)-6-ethyl-5-methyl-3,4-bis(phenylmethoxy)oxan-2-yl]-2,2-difluoroethanol;ethyl 2-[(2R,3R,4S,5S,6R)-6-ethyl-5-methyl-3,4-bis(phenylmethoxy)oxan-2-yl]-2,2-difluoroacetate
CID 157419233
(3R,4S,5R,6R)-6-ethyl-5-methyl-3,4-bis(phenylmethoxy)oxan-2-ol
CID 67471371
(2R,3R,4S,5R)-2-(hydroxymethyl)-5-methyl-4-phenylmethoxyoxolan-3-ol
CID 58747870
(2S,3S,4S,5S,6S)-6-(hydroxymethyl)-3-phenylmethoxyoxane-2,4,5-triol
CID 91699471
(4R,5S)-2-(hydroxymethyl)-5-methyl-6-phenylmethoxyoxane-3,4-diol
CID 129223206
[(2S,4S,6S)-3-methyl-6-phenyl-4,5-bis(phenylmethoxy)oxan-2-yl]methanol
CID 90128354
(2R,3S,4S,5S,6S)-2-ethyl-3-methyl-6-(2-methylprop-2-enyl)-4,5-bis(phenylmethoxy)oxane
CID 118175464
(2R,3R,5R)-5-ethyl-3-methyl-4-phenylmethoxyoxolan-2-ol
CID 121322520
[(3R,4S,6S)-5,6-dimethyl-3,4-bis(phenylmethoxy)oxan-2-yl]methanol
CID 90698925
[5,6-dimethyl-3,4-bis(phenylmethoxy)oxan-2-yl]methanol
CID 76600599

Frequently Asked Questions

What is the IUPAC name of bis((2R,3R,4S,5S,6R)-2-(1,1-difluoro-2,2-dimethylpropyl)-6-ethyl-5-methyl-3,4-bis(phenylmethoxy)oxane);(2R,3R,4S,5R,6R)-2-(1,1-difluoro-2,2-dimethylpropyl)-6-(hydroxymethyl)oxane-3,4,5-triol;(2R,3R,4S,5S,6R)-2-(1,1-difluoro-2-methylpropyl)-6-ethyl-5-methyl-3,4-bis(phenylmethoxy)oxane;(2R,3R,4S,5R,6R)-2-(1,1-difluoro-2-methylpropyl)-6-(hydroxymethyl)oxane-3,4,5-triol?
The IUPAC name of bis((2R,3R,4S,5S,6R)-2-(1,1-difluoro-2,2-dimethylpropyl)-6-ethyl-5-methyl-3,4-bis(phenylmethoxy)oxane);(2R,3R,4S,5R,6R)-2-(1,1-difluoro-2,2-dimethylpropyl)-6-(hydroxymethyl)oxane-3,4,5-triol;(2R,3R,4S,5S,6R)-2-(1,1-difluoro-2-methylpropyl)-6-ethyl-5-methyl-3,4-bis(phenylmethoxy)oxane;(2R,3R,4S,5R,6R)-2-(1,1-difluoro-2-methylpropyl)-6-(hydroxymethyl)oxane-3,4,5-triol (CID 159395703) is bis((2R,3R,4S,5S,6R)-2-(1,1-difluoro-2,2-dimethylpropyl)-6-ethyl-5-methyl-3,4-bis(phenylmethoxy)oxane);(2R,3R,4S,5R,6R)-2-(1,1-difluoro-2,2-dimethylpropyl)-6-(hydroxymethyl)oxane-3,4,5-triol;(2R,3R,4S,5S,6R)-2-(1,1-difluoro-2-methylpropyl)-6-ethyl-5-methyl-3,4-bis(phenylmethoxy)oxane;(2R,3R,4S,5R,6R)-2-(1,1-difluoro-2-methylpropyl)-6-(hydroxymethyl)oxane-3,4,5-triol.
What is the SMILES notation for bis((2R,3R,4S,5S,6R)-2-(1,1-difluoro-2,2-dimethylpropyl)-6-ethyl-5-methyl-3,4-bis(phenylmethoxy)oxane);(2R,3R,4S,5R,6R)-2-(1,1-difluoro-2,2-dimethylpropyl)-6-(hydroxymethyl)oxane-3,4,5-triol;(2R,3R,4S,5S,6R)-2-(1,1-difluoro-2-methylpropyl)-6-ethyl-5-methyl-3,4-bis(phenylmethoxy)oxane;(2R,3R,4S,5R,6R)-2-(1,1-difluoro-2-methylpropyl)-6-(hydroxymethyl)oxane-3,4,5-triol?
The canonical SMILES for bis((2R,3R,4S,5S,6R)-2-(1,1-difluoro-2,2-dimethylpropyl)-6-ethyl-5-methyl-3,4-bis(phenylmethoxy)oxane);(2R,3R,4S,5R,6R)-2-(1,1-difluoro-2,2-dimethylpropyl)-6-(hydroxymethyl)oxane-3,4,5-triol;(2R,3R,4S,5S,6R)-2-(1,1-difluoro-2-methylpropyl)-6-ethyl-5-methyl-3,4-bis(phenylmethoxy)oxane;(2R,3R,4S,5R,6R)-2-(1,1-difluoro-2-methylpropyl)-6-(hydroxymethyl)oxane-3,4,5-triol is CC(C)(C)C(F)(F)[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O.CC(C)C(F)(F)[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O.CC[C@H]1O[C@@H](C(F)(F)C(C)(C)C)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@H]1C.CC[C@H]1O[C@@H](C(F)(F)C(C)(C)C)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@H]1C.CC[C@H]1O[C@@H](C(F)(F)C(C)C)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@H]1C.
What is the InChIKey of bis((2R,3R,4S,5S,6R)-2-(1,1-difluoro-2,2-dimethylpropyl)-6-ethyl-5-methyl-3,4-bis(phenylmethoxy)oxane);(2R,3R,4S,5R,6R)-2-(1,1-difluoro-2,2-dimethylpropyl)-6-(hydroxymethyl)oxane-3,4,5-triol;(2R,3R,4S,5S,6R)-2-(1,1-difluoro-2-methylpropyl)-6-ethyl-5-methyl-3,4-bis(phenylmethoxy)oxane;(2R,3R,4S,5R,6R)-2-(1,1-difluoro-2-methylpropyl)-6-(hydroxymethyl)oxane-3,4,5-triol?
The InChIKey is LMRLGMSUNCWRBT-VKANTGCCSA-N. The full InChI is InChI=1S/2C27H36F2O3.C26H34F2O3.C11H20F2O5.C10H18F2O5/c2*1-6-22-19(2)23(30-17-20-13-9-7-10-14-20)24(31-18-21-15-11-8-12-16-21)25(32-22)27(28,29)26(3,4)5;1-5-22-19(4)23(29-16-20-12-8-6-9-13-20)24(25(31-22)26(27,28)18(2)3)30-17-21-14-10-7-11-15-21;1-10(2,3)11(12,13)9-8(17)7(16)6(15)5(4-14)18-9;1-4(2)10(11,12)9-8(16)7(15)6(14)5(3-13)17-9/h2*7-16,19,22-25H,6,17-18H2,1-5H3;6-15,18-19,22-25H,5,16-17H2,1-4H3;5-9,14-17H,4H2,1-3H3;4-9,13-16H,3H2,1-2H3/t3*19-,22+,23-,24+,25+;2*5-,6+,7+,8-,9-/m00011/s1.
What are the key properties of bis((2R,3R,4S,5S,6R)-2-(1,1-difluoro-2,2-dimethylpropyl)-6-ethyl-5-methyl-3,4-bis(phenylmethoxy)oxane);(2R,3R,4S,5R,6R)-2-(1,1-difluoro-2,2-dimethylpropyl)-6-(hydroxymethyl)oxane-3,4,5-triol;(2R,3R,4S,5S,6R)-2-(1,1-difluoro-2-methylpropyl)-6-ethyl-5-methyl-3,4-bis(phenylmethoxy)oxane;(2R,3R,4S,5R,6R)-2-(1,1-difluoro-2-methylpropyl)-6-(hydroxymethyl)oxane-3,4,5-triol?
bis((2R,3R,4S,5S,6R)-2-(1,1-difluoro-2,2-dimethylpropyl)-6-ethyl-5-methyl-3,4-bis(phenylmethoxy)oxane);(2R,3R,4S,5R,6R)-2-(1,1-difluoro-2,2-dimethylpropyl)-6-(hydroxymethyl)oxane-3,4,5-triol;(2R,3R,4S,5S,6R)-2-(1,1-difluoro-2-methylpropyl)-6-ethyl-5-methyl-3,4-bis(phenylmethoxy)oxane;(2R,3R,4S,5R,6R)-2-(1,1-difluoro-2-methylpropyl)-6-(hydroxymethyl)oxane-3,4,5-triol has a molecular weight of 1852.22 g/mol, XLogP of 18.20, 30 rotatable bonds, 8 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for bis((2R,3R,4S,5S,6R)-2-(1,1-difluoro-2,2-dimethylpropyl)-6-ethyl-5-methyl-3,4-bis(phenylmethoxy)oxane);(2R,3R,4S,5R,6R)-2-(1,1-difluoro-2,2-dimethylpropyl)-6-(hydroxymethyl)oxane-3,4,5-triol;(2R,3R,4S,5S,6R)-2-(1,1-difluoro-2-methylpropyl)-6-ethyl-5-methyl-3,4-bis(phenylmethoxy)oxane;(2R,3R,4S,5R,6R)-2-(1,1-difluoro-2-methylpropyl)-6-(hydroxymethyl)oxane-3,4,5-triol is sourced from PubChem (CID 159395703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).