(2R,3S,4S,5R,6R)-2-ethylsulfanyl-3-[[(2R,3S,4S,5R,6R)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane

C57H64O10S — CID 134917019

IUPAC(2R,3S,4S,5R,6R)-2-ethylsulfanyl-3-[[(2R,3S,4S,5R,6R)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
SMILESCCS[C@H]1O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H]1OC[C@H]1O[C@@H](OC)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@H]1OCc1ccccc1
InChIInChI=1S/C57H64O10S/c1-3-68-57-55(53(63-38-46-30-18-8-19-31-46)50(60-35-43-24-12-5-13-25-43)48(67-57)40-59-34-42-22-10-4-11-23-42)65-41-49-51(61-36-44-26-14-6-15-27-44)52(62-37-45-28-16-7-17-29-45)54(56(58-2)66-49)64-39-47-32-20-9-21-33-47/h4-33,48-57H,3,34-41H2,1-2H3/t48-,49-,50-,51+,52+,53+,54-,55+,56-,57-/m1/s1
InChIKeyIJMRIZCSKQKOPM-STMKPPSSSA-N
MW941.20 g/mol
LogP10.36
Rot. Bonds25

About (2R,3S,4S,5R,6R)-2-ethylsulfanyl-3-[[(2R,3S,4S,5R,6R)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane

(2R,3S,4S,5R,6R)-2-ethylsulfanyl-3-[[(2R,3S,4S,5R,6R)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane (PubChem CID 134917019) has the molecular formula C57H64O10S and a molecular weight of 941.20 g/mol. Its IUPAC name is (2R,3S,4S,5R,6R)-2-ethylsulfanyl-3-[[(2R,3S,4S,5R,6R)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane.

Molecular Properties

Compound Name(2R,3S,4S,5R,6R)-2-ethylsulfanyl-3-[[(2R,3S,4S,5R,6R)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
PubChem CID134917019
Molecular FormulaC57H64O10S
Molecular Weight941.20 g/mol
Exact Mass940.42
IUPAC Name(2R,3S,4S,5R,6R)-2-ethylsulfanyl-3-[[(2R,3S,4S,5R,6R)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
SMILESCCS[C@H]1O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H]1OC[C@H]1O[C@@H](OC)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@H]1OCc1ccccc1
InChIInChI=1S/C57H64O10S/c1-3-68-57-55(53(63-38-46-30-18-8-19-31-46)50(60-35-43-24-12-5-13-25-43)48(67-57)40-59-34-42-22-10-4-11-23-42)65-41-49-51(61-36-44-26-14-6-15-27-44)52(62-37-45-28-16-7-17-29-45)54(56(58-2)66-49)64-39-47-32-20-9-21-33-47/h4-33,48-57H,3,34-41H2,1-2H3/t48-,49-,50-,51+,52+,53+,54-,55+,56-,57-/m1/s1
InChIKeyIJMRIZCSKQKOPM-STMKPPSSSA-N
XLogP10.36
TPSA92.30 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds25
Heavy Atoms68
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500941.20
LogP ≤ 510.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze (2R,3S,4S,5R,6R)-2-ethylsulfanyl-3-[[(2R,3S,4S,5R,6R)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S,5R,6R)-2-ethylsulfanyl-3-[[(2R,3S,4S,5R,6R)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane?
The IUPAC name of (2R,3S,4S,5R,6R)-2-ethylsulfanyl-3-[[(2R,3S,4S,5R,6R)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane (CID 134917019) is (2R,3S,4S,5R,6R)-2-ethylsulfanyl-3-[[(2R,3S,4S,5R,6R)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane.
What is the SMILES notation for (2R,3S,4S,5R,6R)-2-ethylsulfanyl-3-[[(2R,3S,4S,5R,6R)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane?
The canonical SMILES for (2R,3S,4S,5R,6R)-2-ethylsulfanyl-3-[[(2R,3S,4S,5R,6R)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane is CCS[C@H]1O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H]1OC[C@H]1O[C@@H](OC)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@H]1OCc1ccccc1.
What is the InChIKey of (2R,3S,4S,5R,6R)-2-ethylsulfanyl-3-[[(2R,3S,4S,5R,6R)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane?
The InChIKey is IJMRIZCSKQKOPM-STMKPPSSSA-N. The full InChI is InChI=1S/C57H64O10S/c1-3-68-57-55(53(63-38-46-30-18-8-19-31-46)50(60-35-43-24-12-5-13-25-43)48(67-57)40-59-34-42-22-10-4-11-23-42)65-41-49-51(61-36-44-26-14-6-15-27-44)52(62-37-45-28-16-7-17-29-45)54(56(58-2)66-49)64-39-47-32-20-9-21-33-47/h4-33,48-57H,3,34-41H2,1-2H3/t48-,49-,50-,51+,52+,53+,54-,55+,56-,57-/m1/s1.
What are the key properties of (2R,3S,4S,5R,6R)-2-ethylsulfanyl-3-[[(2R,3S,4S,5R,6R)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane?
(2R,3S,4S,5R,6R)-2-ethylsulfanyl-3-[[(2R,3S,4S,5R,6R)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane has a molecular weight of 941.20 g/mol, XLogP of 10.36, 25 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S,5R,6R)-2-ethylsulfanyl-3-[[(2R,3S,4S,5R,6R)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane is sourced from PubChem (CID 134917019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).