(2S,4S,5S)-2-fluoro-6-[[(2R,4S,5S)-3-[(2S,4S,5S)-6-[[(2R,4R,5R)-3-methyl-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxymethyl]-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxymethyl]-3,5-bis(phenylmethoxy)oxan-4-ol

C102H109FO19 — CID 146030626

IUPAC(2S,4S,5S)-2-fluoro-6-[[(2R,4S,5S)-3-[(2S,4S,5S)-6-[[(2R,4R,5R)-3-methyl-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxymethyl]-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxymethyl]-3,5-bis(phenylmethoxy)oxan-4-ol
SMILESCC1[C@H](OCC2O[C@@H](OC3[C@H](OCC4O[C@@H](F)C(OCc5ccccc5)[C@@H](O)[C@@H]4OCc4ccccc4)OC(COCc4ccccc4)[C@H](OCc4ccccc4)[C@@H]3OCc3ccccc3)C(OCc3ccccc3)[C@@H](OCc3ccccc3)[C@H]2OCc2ccccc2)OC(COCc2ccccc2)[C@H](OCc2ccccc2)[C@@H]1OCc1ccccc1
InChIInChI=1S/C102H109FO19/c1-72-89(107-59-75-39-17-4-18-40-75)91(109-61-77-43-21-6-22-44-77)84(68-105-57-73-35-13-2-14-36-73)119-100(72)116-71-87-93(111-63-79-47-25-8-26-48-79)95(113-65-81-51-29-10-30-52-81)97(115-67-83-55-33-12-34-56-83)102(121-87)122-98-96(114-66-82-53-31-11-32-54-82)92(110-62-78-45-23-7-24-46-78)85(69-106-58-74-37-15-3-16-38-74)120-101(98)117-70-86-90(108-60-76-41-19-5-20-42-76)88(104)94(99(103)118-86)112-64-80-49-27-9-28-50-80/h2-56,72,84-102,104H,57-71H2,1H3/t72?,84?,85?,86?,87?,88-,89+,90+,91-,92-,93-,94?,95-,96-,97?,98?,99+,100+,101+,102-/m0/s1
InChIKeyIELMUQAYCHIAPM-XUIKQDQISA-N
MW1657.97 g/mol
LogP16.97
Rot. Bonds43

About (2S,4S,5S)-2-fluoro-6-[[(2R,4S,5S)-3-[(2S,4S,5S)-6-[[(2R,4R,5R)-3-methyl-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxymethyl]-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxymethyl]-3,5-bis(phenylmethoxy)oxan-4-ol

(2S,4S,5S)-2-fluoro-6-[[(2R,4S,5S)-3-[(2S,4S,5S)-6-[[(2R,4R,5R)-3-methyl-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxymethyl]-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxymethyl]-3,5-bis(phenylmethoxy)oxan-4-ol (PubChem CID 146030626) has the molecular formula C102H109FO19 and a molecular weight of 1657.97 g/mol. Its IUPAC name is (2S,4S,5S)-2-fluoro-6-[[(2R,4S,5S)-3-[(2S,4S,5S)-6-[[(2R,4R,5R)-3-methyl-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxymethyl]-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxymethyl]-3,5-bis(phenylmethoxy)oxan-4-ol.

Molecular Properties

Compound Name(2S,4S,5S)-2-fluoro-6-[[(2R,4S,5S)-3-[(2S,4S,5S)-6-[[(2R,4R,5R)-3-methyl-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxymethyl]-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxymethyl]-3,5-bis(phenylmethoxy)oxan-4-ol
PubChem CID146030626
Molecular FormulaC102H109FO19
Molecular Weight1657.97 g/mol
Exact Mass1656.75
IUPAC Name(2S,4S,5S)-2-fluoro-6-[[(2R,4S,5S)-3-[(2S,4S,5S)-6-[[(2R,4R,5R)-3-methyl-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxymethyl]-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxymethyl]-3,5-bis(phenylmethoxy)oxan-4-ol
SMILESCC1[C@H](OCC2O[C@@H](OC3[C@H](OCC4O[C@@H](F)C(OCc5ccccc5)[C@@H](O)[C@@H]4OCc4ccccc4)OC(COCc4ccccc4)[C@H](OCc4ccccc4)[C@@H]3OCc3ccccc3)C(OCc3ccccc3)[C@@H](OCc3ccccc3)[C@H]2OCc2ccccc2)OC(COCc2ccccc2)[C@H](OCc2ccccc2)[C@@H]1OCc1ccccc1
InChIInChI=1S/C102H109FO19/c1-72-89(107-59-75-39-17-4-18-40-75)91(109-61-77-43-21-6-22-44-77)84(68-105-57-73-35-13-2-14-36-73)119-100(72)116-71-87-93(111-63-79-47-25-8-26-48-79)95(113-65-81-51-29-10-30-52-81)97(115-67-83-55-33-12-34-56-83)102(121-87)122-98-96(114-66-82-53-31-11-32-54-82)92(110-62-78-45-23-7-24-46-78)85(69-106-58-74-37-15-3-16-38-74)120-101(98)117-70-86-90(108-60-76-41-19-5-20-42-76)88(104)94(99(103)118-86)112-64-80-49-27-9-28-50-80/h2-56,72,84-102,104H,57-71H2,1H3/t72?,84?,85?,86?,87?,88-,89+,90+,91-,92-,93-,94?,95-,96-,97?,98?,99+,100+,101+,102-/m0/s1
InChIKeyIELMUQAYCHIAPM-XUIKQDQISA-N
XLogP16.97
TPSA186.37 Ų
H-Bond Donors1
H-Bond Acceptors19
Rotatable Bonds43
Heavy Atoms122
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001657.97
LogP ≤ 516.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1019

Analyze (2S,4S,5S)-2-fluoro-6-[[(2R,4S,5S)-3-[(2S,4S,5S)-6-[[(2R,4R,5R)-3-methyl-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxymethyl]-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxymethyl]-3,5-bis(phenylmethoxy)oxan-4-ol with MolForge

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Launch Full Analysis

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Frequently Asked Questions

What is the IUPAC name of (2S,4S,5S)-2-fluoro-6-[[(2R,4S,5S)-3-[(2S,4S,5S)-6-[[(2R,4R,5R)-3-methyl-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxymethyl]-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxymethyl]-3,5-bis(phenylmethoxy)oxan-4-ol?
The IUPAC name of (2S,4S,5S)-2-fluoro-6-[[(2R,4S,5S)-3-[(2S,4S,5S)-6-[[(2R,4R,5R)-3-methyl-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxymethyl]-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxymethyl]-3,5-bis(phenylmethoxy)oxan-4-ol (CID 146030626) is (2S,4S,5S)-2-fluoro-6-[[(2R,4S,5S)-3-[(2S,4S,5S)-6-[[(2R,4R,5R)-3-methyl-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxymethyl]-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxymethyl]-3,5-bis(phenylmethoxy)oxan-4-ol.
What is the SMILES notation for (2S,4S,5S)-2-fluoro-6-[[(2R,4S,5S)-3-[(2S,4S,5S)-6-[[(2R,4R,5R)-3-methyl-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxymethyl]-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxymethyl]-3,5-bis(phenylmethoxy)oxan-4-ol?
The canonical SMILES for (2S,4S,5S)-2-fluoro-6-[[(2R,4S,5S)-3-[(2S,4S,5S)-6-[[(2R,4R,5R)-3-methyl-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxymethyl]-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxymethyl]-3,5-bis(phenylmethoxy)oxan-4-ol is CC1[C@H](OCC2O[C@@H](OC3[C@H](OCC4O[C@@H](F)C(OCc5ccccc5)[C@@H](O)[C@@H]4OCc4ccccc4)OC(COCc4ccccc4)[C@H](OCc4ccccc4)[C@@H]3OCc3ccccc3)C(OCc3ccccc3)[C@@H](OCc3ccccc3)[C@H]2OCc2ccccc2)OC(COCc2ccccc2)[C@H](OCc2ccccc2)[C@@H]1OCc1ccccc1.
What is the InChIKey of (2S,4S,5S)-2-fluoro-6-[[(2R,4S,5S)-3-[(2S,4S,5S)-6-[[(2R,4R,5R)-3-methyl-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxymethyl]-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxymethyl]-3,5-bis(phenylmethoxy)oxan-4-ol?
The InChIKey is IELMUQAYCHIAPM-XUIKQDQISA-N. The full InChI is InChI=1S/C102H109FO19/c1-72-89(107-59-75-39-17-4-18-40-75)91(109-61-77-43-21-6-22-44-77)84(68-105-57-73-35-13-2-14-36-73)119-100(72)116-71-87-93(111-63-79-47-25-8-26-48-79)95(113-65-81-51-29-10-30-52-81)97(115-67-83-55-33-12-34-56-83)102(121-87)122-98-96(114-66-82-53-31-11-32-54-82)92(110-62-78-45-23-7-24-46-78)85(69-106-58-74-37-15-3-16-38-74)120-101(98)117-70-86-90(108-60-76-41-19-5-20-42-76)88(104)94(99(103)118-86)112-64-80-49-27-9-28-50-80/h2-56,72,84-102,104H,57-71H2,1H3/t72?,84?,85?,86?,87?,88-,89+,90+,91-,92-,93-,94?,95-,96-,97?,98?,99+,100+,101+,102-/m0/s1.
What are the key properties of (2S,4S,5S)-2-fluoro-6-[[(2R,4S,5S)-3-[(2S,4S,5S)-6-[[(2R,4R,5R)-3-methyl-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxymethyl]-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxymethyl]-3,5-bis(phenylmethoxy)oxan-4-ol?
(2S,4S,5S)-2-fluoro-6-[[(2R,4S,5S)-3-[(2S,4S,5S)-6-[[(2R,4R,5R)-3-methyl-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxymethyl]-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxymethyl]-3,5-bis(phenylmethoxy)oxan-4-ol has a molecular weight of 1657.97 g/mol, XLogP of 16.97, 43 rotatable bonds, 1 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S,5S)-2-fluoro-6-[[(2R,4S,5S)-3-[(2S,4S,5S)-6-[[(2R,4R,5R)-3-methyl-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxymethyl]-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxymethyl]-3,5-bis(phenylmethoxy)oxan-4-ol is sourced from PubChem (CID 146030626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).