(4S)-2-methoxy-6-[[(3S,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methylsulfanylmethyl]-3,4,5-tris(phenylmethoxy)oxane

C56H62O10S — CID 134865334

IUPAC(4S)-2-methoxy-6-[[(3S,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methylsulfanylmethyl]-3,4,5-tris(phenylmethoxy)oxane
SMILESCOC1OC(CSCC2O[C@H](OC)C(OCc3ccccc3)C(OCc3ccccc3)[C@@H]2OCc2ccccc2)C(OCc2ccccc2)[C@H](OCc2ccccc2)C1OCc1ccccc1
InChIInChI=1S/C56H62O10S/c1-57-55-53(63-37-45-29-17-7-18-30-45)51(61-35-43-25-13-5-14-26-43)49(59-33-41-21-9-3-10-22-41)47(65-55)39-67-40-48-50(60-34-42-23-11-4-12-24-42)52(62-36-44-27-15-6-16-28-44)54(56(58-2)66-48)64-38-46-31-19-8-20-32-46/h3-32,47-56H,33-40H2,1-2H3/t47?,48?,49-,50?,51?,52+,53?,54?,55+,56?/m1/s1
InChIKeyGRNGKIHDKPOWOY-GSYPIHSDSA-N
MW927.17 g/mol
LogP9.97
Rot. Bonds24

About (4S)-2-methoxy-6-[[(3S,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methylsulfanylmethyl]-3,4,5-tris(phenylmethoxy)oxane

(4S)-2-methoxy-6-[[(3S,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methylsulfanylmethyl]-3,4,5-tris(phenylmethoxy)oxane (PubChem CID 134865334) has the molecular formula C56H62O10S and a molecular weight of 927.17 g/mol. Its IUPAC name is (4S)-2-methoxy-6-[[(3S,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methylsulfanylmethyl]-3,4,5-tris(phenylmethoxy)oxane.

Molecular Properties

Compound Name(4S)-2-methoxy-6-[[(3S,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methylsulfanylmethyl]-3,4,5-tris(phenylmethoxy)oxane
PubChem CID134865334
Molecular FormulaC56H62O10S
Molecular Weight927.17 g/mol
Exact Mass926.41
IUPAC Name(4S)-2-methoxy-6-[[(3S,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methylsulfanylmethyl]-3,4,5-tris(phenylmethoxy)oxane
SMILESCOC1OC(CSCC2O[C@H](OC)C(OCc3ccccc3)C(OCc3ccccc3)[C@@H]2OCc2ccccc2)C(OCc2ccccc2)[C@H](OCc2ccccc2)C1OCc1ccccc1
InChIInChI=1S/C56H62O10S/c1-57-55-53(63-37-45-29-17-7-18-30-45)51(61-35-43-25-13-5-14-26-43)49(59-33-41-21-9-3-10-22-41)47(65-55)39-67-40-48-50(60-34-42-23-11-4-12-24-42)52(62-36-44-27-15-6-16-28-44)54(56(58-2)66-48)64-38-46-31-19-8-20-32-46/h3-32,47-56H,33-40H2,1-2H3/t47?,48?,49-,50?,51?,52+,53?,54?,55+,56?/m1/s1
InChIKeyGRNGKIHDKPOWOY-GSYPIHSDSA-N
XLogP9.97
TPSA92.30 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds24
Heavy Atoms67
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500927.17
LogP ≤ 59.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

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

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Frequently Asked Questions

What is the IUPAC name of (4S)-2-methoxy-6-[[(3S,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methylsulfanylmethyl]-3,4,5-tris(phenylmethoxy)oxane?
The IUPAC name of (4S)-2-methoxy-6-[[(3S,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methylsulfanylmethyl]-3,4,5-tris(phenylmethoxy)oxane (CID 134865334) is (4S)-2-methoxy-6-[[(3S,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methylsulfanylmethyl]-3,4,5-tris(phenylmethoxy)oxane.
What is the SMILES notation for (4S)-2-methoxy-6-[[(3S,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methylsulfanylmethyl]-3,4,5-tris(phenylmethoxy)oxane?
The canonical SMILES for (4S)-2-methoxy-6-[[(3S,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methylsulfanylmethyl]-3,4,5-tris(phenylmethoxy)oxane is COC1OC(CSCC2O[C@H](OC)C(OCc3ccccc3)C(OCc3ccccc3)[C@@H]2OCc2ccccc2)C(OCc2ccccc2)[C@H](OCc2ccccc2)C1OCc1ccccc1.
What is the InChIKey of (4S)-2-methoxy-6-[[(3S,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methylsulfanylmethyl]-3,4,5-tris(phenylmethoxy)oxane?
The InChIKey is GRNGKIHDKPOWOY-GSYPIHSDSA-N. The full InChI is InChI=1S/C56H62O10S/c1-57-55-53(63-37-45-29-17-7-18-30-45)51(61-35-43-25-13-5-14-26-43)49(59-33-41-21-9-3-10-22-41)47(65-55)39-67-40-48-50(60-34-42-23-11-4-12-24-42)52(62-36-44-27-15-6-16-28-44)54(56(58-2)66-48)64-38-46-31-19-8-20-32-46/h3-32,47-56H,33-40H2,1-2H3/t47?,48?,49-,50?,51?,52+,53?,54?,55+,56?/m1/s1.
What are the key properties of (4S)-2-methoxy-6-[[(3S,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methylsulfanylmethyl]-3,4,5-tris(phenylmethoxy)oxane?
(4S)-2-methoxy-6-[[(3S,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methylsulfanylmethyl]-3,4,5-tris(phenylmethoxy)oxane has a molecular weight of 927.17 g/mol, XLogP of 9.97, 24 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-methoxy-6-[[(3S,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methylsulfanylmethyl]-3,4,5-tris(phenylmethoxy)oxane is sourced from PubChem (CID 134865334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).