(2R,3R,4S,5S,6R)-2-[difluoro(pyridin-2-ylsulfonyl)methyl]-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-ol

C40H39F2NO8S — CID 122226659

IUPAC(2R,3R,4S,5S,6R)-2-[difluoro(pyridin-2-ylsulfonyl)methyl]-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-ol
SMILESO=S(=O)(c1ccccn1)C(F)(F)[C@]1(O)O[C@H](COCc2ccccc2)[C@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1
InChIInChI=1S/C40H39F2NO8S/c41-40(42,52(45,46)35-23-13-14-24-43-35)39(44)38(50-28-33-21-11-4-12-22-33)37(49-27-32-19-9-3-10-20-32)36(48-26-31-17-7-2-8-18-31)34(51-39)29-47-25-30-15-5-1-6-16-30/h1-24,34,36-38,44H,25-29H2/t34-,36+,37+,38-,39-/m1/s1
InChIKeyQYCWUMYFSHDOPE-GNIJVRCISA-N
MW731.81 g/mol
LogP6.51
Rot. Bonds16

About (2R,3R,4S,5S,6R)-2-[difluoro(pyridin-2-ylsulfonyl)methyl]-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-ol

(2R,3R,4S,5S,6R)-2-[difluoro(pyridin-2-ylsulfonyl)methyl]-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-ol (PubChem CID 122226659) has the molecular formula C40H39F2NO8S and a molecular weight of 731.81 g/mol. Its IUPAC name is (2R,3R,4S,5S,6R)-2-[difluoro(pyridin-2-ylsulfonyl)methyl]-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-ol.

Molecular Properties

Compound Name(2R,3R,4S,5S,6R)-2-[difluoro(pyridin-2-ylsulfonyl)methyl]-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-ol
PubChem CID122226659
Molecular FormulaC40H39F2NO8S
Molecular Weight731.81 g/mol
Exact Mass731.24
IUPAC Name(2R,3R,4S,5S,6R)-2-[difluoro(pyridin-2-ylsulfonyl)methyl]-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-ol
SMILESO=S(=O)(c1ccccn1)C(F)(F)[C@]1(O)O[C@H](COCc2ccccc2)[C@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1
InChIInChI=1S/C40H39F2NO8S/c41-40(42,52(45,46)35-23-13-14-24-43-35)39(44)38(50-28-33-21-11-4-12-22-33)37(49-27-32-19-9-3-10-20-32)36(48-26-31-17-7-2-8-18-31)34(51-39)29-47-25-30-15-5-1-6-16-30/h1-24,34,36-38,44H,25-29H2/t34-,36+,37+,38-,39-/m1/s1
InChIKeyQYCWUMYFSHDOPE-GNIJVRCISA-N
XLogP6.51
TPSA113.41 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds16
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500731.81
LogP ≤ 56.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze (2R,3R,4S,5S,6R)-2-[difluoro(pyridin-2-ylsulfonyl)methyl]-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,2-difluoro-2-[(2R,3R,4S,5R,6R)-2-hydroxy-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]acetic acid
CID 25111747
2-[3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]sulfonylpyridine
CID 72749768
(3R,4S,5R,6R)-2-ethyl-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-ol
CID 14445991
2-[(3R,4S,5S,6R)-2-hydroxy-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]acetic acid
CID 54345731
(3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)-2-(1,3-thiazol-2-yl)oxan-2-ol
CID 134908225
(3R,4S,5R,6R)-2-ethenyl-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-ol
CID 101091855
methyl (2R,5R)-2-hydroxy-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane-2-carboxylate
CID 135042253
(3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)-2-prop-2-enyloxan-2-ol
CID 11273229
(3R,4S,5R,6R)-2-chloro-2-methyl-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 58018263
(1S,2S,3R,4R,6S,9S,10S,11S,12R,13R)-1,2,3,10,11,12-hexakis(phenylmethoxy)-4,13-bis(phenylmethoxymethyl)-5,8,14,16-tetraoxadispiro[5.2.59.26]hexadecane
CID 101140893
(2S,3R,4S,5R,6R)-2-[(2E)-2-hydrazinylideneethyl]-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-ol
CID 101123709
[(2R,3S,4R,5R,6R)-4,5,6-tris(phenylmethoxy)-2-(phenylmethoxymethyl)oxan-3-yl] trifluoromethanesulfonate
CID 71313916

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5S,6R)-2-[difluoro(pyridin-2-ylsulfonyl)methyl]-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-ol?
The IUPAC name of (2R,3R,4S,5S,6R)-2-[difluoro(pyridin-2-ylsulfonyl)methyl]-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-ol (CID 122226659) is (2R,3R,4S,5S,6R)-2-[difluoro(pyridin-2-ylsulfonyl)methyl]-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-ol.
What is the SMILES notation for (2R,3R,4S,5S,6R)-2-[difluoro(pyridin-2-ylsulfonyl)methyl]-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-ol?
The canonical SMILES for (2R,3R,4S,5S,6R)-2-[difluoro(pyridin-2-ylsulfonyl)methyl]-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-ol is O=S(=O)(c1ccccn1)C(F)(F)[C@]1(O)O[C@H](COCc2ccccc2)[C@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1.
What is the InChIKey of (2R,3R,4S,5S,6R)-2-[difluoro(pyridin-2-ylsulfonyl)methyl]-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-ol?
The InChIKey is QYCWUMYFSHDOPE-GNIJVRCISA-N. The full InChI is InChI=1S/C40H39F2NO8S/c41-40(42,52(45,46)35-23-13-14-24-43-35)39(44)38(50-28-33-21-11-4-12-22-33)37(49-27-32-19-9-3-10-20-32)36(48-26-31-17-7-2-8-18-31)34(51-39)29-47-25-30-15-5-1-6-16-30/h1-24,34,36-38,44H,25-29H2/t34-,36+,37+,38-,39-/m1/s1.
What are the key properties of (2R,3R,4S,5S,6R)-2-[difluoro(pyridin-2-ylsulfonyl)methyl]-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-ol?
(2R,3R,4S,5S,6R)-2-[difluoro(pyridin-2-ylsulfonyl)methyl]-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-ol has a molecular weight of 731.81 g/mol, XLogP of 6.51, 16 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5S,6R)-2-[difluoro(pyridin-2-ylsulfonyl)methyl]-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-ol is sourced from PubChem (CID 122226659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).