(3R,4R,6S)-2-ethyl-4,5-bis(phenylmethoxy)-6-phenylsulfanyloxan-3-ol;(3R,4R,6S)-2-ethyl-3-methyl-4,5-bis(phenylmethoxy)-6-phenylsulfanyloxane;(3R,4R,6S)-2-(hydroxymethyl)-4,5-bis(phenylmethoxy)-6-phenylsulfanyloxan-3-ol;[(3R,4R,6S)-3-methyl-4,5-bis(phenylmethoxy)-6-phenylsulfanyloxan-2-yl]methanol;methyl (3S,4R,6S)-3-hydroxy-4,5-bis(phenylmethoxy)-6-phenylsulfanyloxane-2-carboxylate;methyl (3S,4R,6S)-3-methyl-4,5-bis(phenylmethoxy)-6-phenylsulfanyloxane-2-carboxylate

C163H178O27S6 — CID 158445977

IUPAC(3R,4R,6S)-2-ethyl-4,5-bis(phenylmethoxy)-6-phenylsulfanyloxan-3-ol;(3R,4R,6S)-2-ethyl-3-methyl-4,5-bis(phenylmethoxy)-6-phenylsulfanyloxane;(3R,4R,6S)-2-(hydroxymethyl)-4,5-bis(phenylmethoxy)-6-phenylsulfanyloxan-3-ol;[(3R,4R,6S)-3-methyl-4,5-bis(phenylmethoxy)-6-phenylsulfanyloxan-2-yl]methanol;methyl (3S,4R,6S)-3-hydroxy-4,5-bis(phenylmethoxy)-6-phenylsulfanyloxane-2-carboxylate;methyl (3S,4R,6S)-3-methyl-4,5-bis(phenylmethoxy)-6-phenylsulfanyloxane-2-carboxylate
SMILESCC1C(CO)O[C@@H](Sc2ccccc2)C(OCc2ccccc2)[C@@H]1OCc1ccccc1.CCC1O[C@@H](Sc2ccccc2)C(OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H]1C.CCC1O[C@@H](Sc2ccccc2)C(OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H]1O.COC(=O)C1O[C@@H](Sc2ccccc2)C(OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H]1C.COC(=O)C1O[C@@H](Sc2ccccc2)C(OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H]1O.OCC1O[C@@H](Sc2ccccc2)C(OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H]1O
InChIInChI=1S/C28H30O5S.C28H32O3S.C27H28O6S.2C27H30O4S.C26H28O5S/c1-20-24(31-18-21-12-6-3-7-13-21)26(32-19-22-14-8-4-9-15-22)28(33-25(20)27(29)30-2)34-23-16-10-5-11-17-23;1-3-25-21(2)26(29-19-22-13-7-4-8-14-22)27(30-20-23-15-9-5-10-16-23)28(31-25)32-24-17-11-6-12-18-24;1-30-26(29)24-22(28)23(31-17-19-11-5-2-6-12-19)25(32-18-20-13-7-3-8-14-20)27(33-24)34-21-15-9-4-10-16-21;1-20-24(17-28)31-27(32-23-15-9-4-10-16-23)26(30-19-22-13-7-3-8-14-22)25(20)29-18-21-11-5-2-6-12-21;1-2-23-24(28)25(29-18-20-12-6-3-7-13-20)26(30-19-21-14-8-4-9-15-21)27(31-23)32-22-16-10-5-11-17-22;27-16-22-23(28)24(29-17-19-10-4-1-5-11-19)25(30-18-20-12-6-2-7-13-20)26(31-22)32-21-14-8-3-9-15-21/h3-17,20,24-26,28H,18-19H2,1-2H3;4-18,21,25-28H,3,19-20H2,1-2H3;2-16,22-25,27-28H,17-18H2,1H3;2-16,20,24-28H,17-19H2,1H3;3-17,23-28H,2,18-19H2,1H3;1-15,22-28H,16-18H2/t20-,24+,25?,26?,28-;21-,25?,26-,27?,28+;22-,23+,24?,25?,27-;20?,24?,25-,26?,27+;23?,24-,25-,26?,27+;22?,23-,24-,25?,26+/m010111/s1
InChIKeyHDKAWZNULQEBGA-XDHOUFRVSA-N
MW2761.59 g/mol
LogP31.19
Rot. Bonds54

About (3R,4R,6S)-2-ethyl-4,5-bis(phenylmethoxy)-6-phenylsulfanyloxan-3-ol;(3R,4R,6S)-2-ethyl-3-methyl-4,5-bis(phenylmethoxy)-6-phenylsulfanyloxane;(3R,4R,6S)-2-(hydroxymethyl)-4,5-bis(phenylmethoxy)-6-phenylsulfanyloxan-3-ol;[(3R,4R,6S)-3-methyl-4,5-bis(phenylmethoxy)-6-phenylsulfanyloxan-2-yl]methanol;methyl (3S,4R,6S)-3-hydroxy-4,5-bis(phenylmethoxy)-6-phenylsulfanyloxane-2-carboxylate;methyl (3S,4R,6S)-3-methyl-4,5-bis(phenylmethoxy)-6-phenylsulfanyloxane-2-carboxylate

(3R,4R,6S)-2-ethyl-4,5-bis(phenylmethoxy)-6-phenylsulfanyloxan-3-ol;(3R,4R,6S)-2-ethyl-3-methyl-4,5-bis(phenylmethoxy)-6-phenylsulfanyloxane;(3R,4R,6S)-2-(hydroxymethyl)-4,5-bis(phenylmethoxy)-6-phenylsulfanyloxan-3-ol;[(3R,4R,6S)-3-methyl-4,5-bis(phenylmethoxy)-6-phenylsulfanyloxan-2-yl]methanol;methyl (3S,4R,6S)-3-hydroxy-4,5-bis(phenylmethoxy)-6-phenylsulfanyloxane-2-carboxylate;methyl (3S,4R,6S)-3-methyl-4,5-bis(phenylmethoxy)-6-phenylsulfanyloxane-2-carboxylate (PubChem CID 158445977) has the molecular formula C163H178O27S6 and a molecular weight of 2761.59 g/mol. Its IUPAC name is (3R,4R,6S)-2-ethyl-4,5-bis(phenylmethoxy)-6-phenylsulfanyloxan-3-ol;(3R,4R,6S)-2-ethyl-3-methyl-4,5-bis(phenylmethoxy)-6-phenylsulfanyloxane;(3R,4R,6S)-2-(hydroxymethyl)-4,5-bis(phenylmethoxy)-6-phenylsulfanyloxan-3-ol;[(3R,4R,6S)-3-methyl-4,5-bis(phenylmethoxy)-6-phenylsulfanyloxan-2-yl]methanol;methyl (3S,4R,6S)-3-hydroxy-4,5-bis(phenylmethoxy)-6-phenylsulfanyloxane-2-carboxylate;methyl (3S,4R,6S)-3-methyl-4,5-bis(phenylmethoxy)-6-phenylsulfanyloxane-2-carboxylate.

Molecular Properties

Compound Name(3R,4R,6S)-2-ethyl-4,5-bis(phenylmethoxy)-6-phenylsulfanyloxan-3-ol;(3R,4R,6S)-2-ethyl-3-methyl-4,5-bis(phenylmethoxy)-6-phenylsulfanyloxane;(3R,4R,6S)-2-(hydroxymethyl)-4,5-bis(phenylmethoxy)-6-phenylsulfanyloxan-3-ol;[(3R,4R,6S)-3-methyl-4,5-bis(phenylmethoxy)-6-phenylsulfanyloxan-2-yl]methanol;methyl (3S,4R,6S)-3-hydroxy-4,5-bis(phenylmethoxy)-6-phenylsulfanyloxane-2-carboxylate;methyl (3S,4R,6S)-3-methyl-4,5-bis(phenylmethoxy)-6-phenylsulfanyloxane-2-carboxylate
PubChem CID158445977
Molecular FormulaC163H178O27S6
Molecular Weight2761.59 g/mol
Exact Mass2759.09
IUPAC Name(3R,4R,6S)-2-ethyl-4,5-bis(phenylmethoxy)-6-phenylsulfanyloxan-3-ol;(3R,4R,6S)-2-ethyl-3-methyl-4,5-bis(phenylmethoxy)-6-phenylsulfanyloxane;(3R,4R,6S)-2-(hydroxymethyl)-4,5-bis(phenylmethoxy)-6-phenylsulfanyloxan-3-ol;[(3R,4R,6S)-3-methyl-4,5-bis(phenylmethoxy)-6-phenylsulfanyloxan-2-yl]methanol;methyl (3S,4R,6S)-3-hydroxy-4,5-bis(phenylmethoxy)-6-phenylsulfanyloxane-2-carboxylate;methyl (3S,4R,6S)-3-methyl-4,5-bis(phenylmethoxy)-6-phenylsulfanyloxane-2-carboxylate
SMILESCC1C(CO)O[C@@H](Sc2ccccc2)C(OCc2ccccc2)[C@@H]1OCc1ccccc1.CCC1O[C@@H](Sc2ccccc2)C(OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H]1C.CCC1O[C@@H](Sc2ccccc2)C(OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H]1O.COC(=O)C1O[C@@H](Sc2ccccc2)C(OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H]1C.COC(=O)C1O[C@@H](Sc2ccccc2)C(OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H]1O.OCC1O[C@@H](Sc2ccccc2)C(OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H]1O
InChIInChI=1S/C28H30O5S.C28H32O3S.C27H28O6S.2C27H30O4S.C26H28O5S/c1-20-24(31-18-21-12-6-3-7-13-21)26(32-19-22-14-8-4-9-15-22)28(33-25(20)27(29)30-2)34-23-16-10-5-11-17-23;1-3-25-21(2)26(29-19-22-13-7-4-8-14-22)27(30-20-23-15-9-5-10-16-23)28(31-25)32-24-17-11-6-12-18-24;1-30-26(29)24-22(28)23(31-17-19-11-5-2-6-12-19)25(32-18-20-13-7-3-8-14-20)27(33-24)34-21-15-9-4-10-16-21;1-20-24(17-28)31-27(32-23-15-9-4-10-16-23)26(30-19-22-13-7-3-8-14-22)25(20)29-18-21-11-5-2-6-12-21;1-2-23-24(28)25(29-18-20-12-6-3-7-13-20)26(30-19-21-14-8-4-9-15-21)27(31-23)32-22-16-10-5-11-17-22;27-16-22-23(28)24(29-17-19-10-4-1-5-11-19)25(30-18-20-12-6-2-7-13-20)26(31-22)32-21-14-8-3-9-15-21/h3-17,20,24-26,28H,18-19H2,1-2H3;4-18,21,25-28H,3,19-20H2,1-2H3;2-16,22-25,27-28H,17-18H2,1H3;2-16,20,24-28H,17-19H2,1H3;3-17,23-28H,2,18-19H2,1H3;1-15,22-28H,16-18H2/t20-,24+,25?,26?,28-;21-,25?,26-,27?,28+;22-,23+,24?,25?,27-;20?,24?,25-,26?,27+;23?,24-,25-,26?,27+;22?,23-,24-,25?,26+/m010111/s1
InChIKeyHDKAWZNULQEBGA-XDHOUFRVSA-N
XLogP31.19
TPSA319.89 Ų
H-Bond Donors5
H-Bond Acceptors33
Rotatable Bonds54
Heavy Atoms196
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002761.59
LogP ≤ 531.19
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1033

Analyze (3R,4R,6S)-2-ethyl-4,5-bis(phenylmethoxy)-6-phenylsulfanyloxan-3-ol;(3R,4R,6S)-2-ethyl-3-methyl-4,5-bis(phenylmethoxy)-6-phenylsulfanyloxane;(3R,4R,6S)-2-(hydroxymethyl)-4,5-bis(phenylmethoxy)-6-phenylsulfanyloxan-3-ol;[(3R,4R,6S)-3-methyl-4,5-bis(phenylmethoxy)-6-phenylsulfanyloxan-2-yl]methanol;methyl (3S,4R,6S)-3-hydroxy-4,5-bis(phenylmethoxy)-6-phenylsulfanyloxane-2-carboxylate;methyl (3S,4R,6S)-3-methyl-4,5-bis(phenylmethoxy)-6-phenylsulfanyloxane-2-carboxylate with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of (3R,4R,6S)-2-ethyl-4,5-bis(phenylmethoxy)-6-phenylsulfanyloxan-3-ol;(3R,4R,6S)-2-ethyl-3-methyl-4,5-bis(phenylmethoxy)-6-phenylsulfanyloxane;(3R,4R,6S)-2-(hydroxymethyl)-4,5-bis(phenylmethoxy)-6-phenylsulfanyloxan-3-ol;[(3R,4R,6S)-3-methyl-4,5-bis(phenylmethoxy)-6-phenylsulfanyloxan-2-yl]methanol;methyl (3S,4R,6S)-3-hydroxy-4,5-bis(phenylmethoxy)-6-phenylsulfanyloxane-2-carboxylate;methyl (3S,4R,6S)-3-methyl-4,5-bis(phenylmethoxy)-6-phenylsulfanyloxane-2-carboxylate?
The IUPAC name of (3R,4R,6S)-2-ethyl-4,5-bis(phenylmethoxy)-6-phenylsulfanyloxan-3-ol;(3R,4R,6S)-2-ethyl-3-methyl-4,5-bis(phenylmethoxy)-6-phenylsulfanyloxane;(3R,4R,6S)-2-(hydroxymethyl)-4,5-bis(phenylmethoxy)-6-phenylsulfanyloxan-3-ol;[(3R,4R,6S)-3-methyl-4,5-bis(phenylmethoxy)-6-phenylsulfanyloxan-2-yl]methanol;methyl (3S,4R,6S)-3-hydroxy-4,5-bis(phenylmethoxy)-6-phenylsulfanyloxane-2-carboxylate;methyl (3S,4R,6S)-3-methyl-4,5-bis(phenylmethoxy)-6-phenylsulfanyloxane-2-carboxylate (CID 158445977) is (3R,4R,6S)-2-ethyl-4,5-bis(phenylmethoxy)-6-phenylsulfanyloxan-3-ol;(3R,4R,6S)-2-ethyl-3-methyl-4,5-bis(phenylmethoxy)-6-phenylsulfanyloxane;(3R,4R,6S)-2-(hydroxymethyl)-4,5-bis(phenylmethoxy)-6-phenylsulfanyloxan-3-ol;[(3R,4R,6S)-3-methyl-4,5-bis(phenylmethoxy)-6-phenylsulfanyloxan-2-yl]methanol;methyl (3S,4R,6S)-3-hydroxy-4,5-bis(phenylmethoxy)-6-phenylsulfanyloxane-2-carboxylate;methyl (3S,4R,6S)-3-methyl-4,5-bis(phenylmethoxy)-6-phenylsulfanyloxane-2-carboxylate.
What is the SMILES notation for (3R,4R,6S)-2-ethyl-4,5-bis(phenylmethoxy)-6-phenylsulfanyloxan-3-ol;(3R,4R,6S)-2-ethyl-3-methyl-4,5-bis(phenylmethoxy)-6-phenylsulfanyloxane;(3R,4R,6S)-2-(hydroxymethyl)-4,5-bis(phenylmethoxy)-6-phenylsulfanyloxan-3-ol;[(3R,4R,6S)-3-methyl-4,5-bis(phenylmethoxy)-6-phenylsulfanyloxan-2-yl]methanol;methyl (3S,4R,6S)-3-hydroxy-4,5-bis(phenylmethoxy)-6-phenylsulfanyloxane-2-carboxylate;methyl (3S,4R,6S)-3-methyl-4,5-bis(phenylmethoxy)-6-phenylsulfanyloxane-2-carboxylate?
The canonical SMILES for (3R,4R,6S)-2-ethyl-4,5-bis(phenylmethoxy)-6-phenylsulfanyloxan-3-ol;(3R,4R,6S)-2-ethyl-3-methyl-4,5-bis(phenylmethoxy)-6-phenylsulfanyloxane;(3R,4R,6S)-2-(hydroxymethyl)-4,5-bis(phenylmethoxy)-6-phenylsulfanyloxan-3-ol;[(3R,4R,6S)-3-methyl-4,5-bis(phenylmethoxy)-6-phenylsulfanyloxan-2-yl]methanol;methyl (3S,4R,6S)-3-hydroxy-4,5-bis(phenylmethoxy)-6-phenylsulfanyloxane-2-carboxylate;methyl (3S,4R,6S)-3-methyl-4,5-bis(phenylmethoxy)-6-phenylsulfanyloxane-2-carboxylate is CC1C(CO)O[C@@H](Sc2ccccc2)C(OCc2ccccc2)[C@@H]1OCc1ccccc1.CCC1O[C@@H](Sc2ccccc2)C(OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H]1C.CCC1O[C@@H](Sc2ccccc2)C(OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H]1O.COC(=O)C1O[C@@H](Sc2ccccc2)C(OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H]1C.COC(=O)C1O[C@@H](Sc2ccccc2)C(OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H]1O.OCC1O[C@@H](Sc2ccccc2)C(OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H]1O.
What is the InChIKey of (3R,4R,6S)-2-ethyl-4,5-bis(phenylmethoxy)-6-phenylsulfanyloxan-3-ol;(3R,4R,6S)-2-ethyl-3-methyl-4,5-bis(phenylmethoxy)-6-phenylsulfanyloxane;(3R,4R,6S)-2-(hydroxymethyl)-4,5-bis(phenylmethoxy)-6-phenylsulfanyloxan-3-ol;[(3R,4R,6S)-3-methyl-4,5-bis(phenylmethoxy)-6-phenylsulfanyloxan-2-yl]methanol;methyl (3S,4R,6S)-3-hydroxy-4,5-bis(phenylmethoxy)-6-phenylsulfanyloxane-2-carboxylate;methyl (3S,4R,6S)-3-methyl-4,5-bis(phenylmethoxy)-6-phenylsulfanyloxane-2-carboxylate?
The InChIKey is HDKAWZNULQEBGA-XDHOUFRVSA-N. The full InChI is InChI=1S/C28H30O5S.C28H32O3S.C27H28O6S.2C27H30O4S.C26H28O5S/c1-20-24(31-18-21-12-6-3-7-13-21)26(32-19-22-14-8-4-9-15-22)28(33-25(20)27(29)30-2)34-23-16-10-5-11-17-23;1-3-25-21(2)26(29-19-22-13-7-4-8-14-22)27(30-20-23-15-9-5-10-16-23)28(31-25)32-24-17-11-6-12-18-24;1-30-26(29)24-22(28)23(31-17-19-11-5-2-6-12-19)25(32-18-20-13-7-3-8-14-20)27(33-24)34-21-15-9-4-10-16-21;1-20-24(17-28)31-27(32-23-15-9-4-10-16-23)26(30-19-22-13-7-3-8-14-22)25(20)29-18-21-11-5-2-6-12-21;1-2-23-24(28)25(29-18-20-12-6-3-7-13-20)26(30-19-21-14-8-4-9-15-21)27(31-23)32-22-16-10-5-11-17-22;27-16-22-23(28)24(29-17-19-10-4-1-5-11-19)25(30-18-20-12-6-2-7-13-20)26(31-22)32-21-14-8-3-9-15-21/h3-17,20,24-26,28H,18-19H2,1-2H3;4-18,21,25-28H,3,19-20H2,1-2H3;2-16,22-25,27-28H,17-18H2,1H3;2-16,20,24-28H,17-19H2,1H3;3-17,23-28H,2,18-19H2,1H3;1-15,22-28H,16-18H2/t20-,24+,25?,26?,28-;21-,25?,26-,27?,28+;22-,23+,24?,25?,27-;20?,24?,25-,26?,27+;23?,24-,25-,26?,27+;22?,23-,24-,25?,26+/m010111/s1.
What are the key properties of (3R,4R,6S)-2-ethyl-4,5-bis(phenylmethoxy)-6-phenylsulfanyloxan-3-ol;(3R,4R,6S)-2-ethyl-3-methyl-4,5-bis(phenylmethoxy)-6-phenylsulfanyloxane;(3R,4R,6S)-2-(hydroxymethyl)-4,5-bis(phenylmethoxy)-6-phenylsulfanyloxan-3-ol;[(3R,4R,6S)-3-methyl-4,5-bis(phenylmethoxy)-6-phenylsulfanyloxan-2-yl]methanol;methyl (3S,4R,6S)-3-hydroxy-4,5-bis(phenylmethoxy)-6-phenylsulfanyloxane-2-carboxylate;methyl (3S,4R,6S)-3-methyl-4,5-bis(phenylmethoxy)-6-phenylsulfanyloxane-2-carboxylate?
(3R,4R,6S)-2-ethyl-4,5-bis(phenylmethoxy)-6-phenylsulfanyloxan-3-ol;(3R,4R,6S)-2-ethyl-3-methyl-4,5-bis(phenylmethoxy)-6-phenylsulfanyloxane;(3R,4R,6S)-2-(hydroxymethyl)-4,5-bis(phenylmethoxy)-6-phenylsulfanyloxan-3-ol;[(3R,4R,6S)-3-methyl-4,5-bis(phenylmethoxy)-6-phenylsulfanyloxan-2-yl]methanol;methyl (3S,4R,6S)-3-hydroxy-4,5-bis(phenylmethoxy)-6-phenylsulfanyloxane-2-carboxylate;methyl (3S,4R,6S)-3-methyl-4,5-bis(phenylmethoxy)-6-phenylsulfanyloxane-2-carboxylate has a molecular weight of 2761.59 g/mol, XLogP of 31.19, 54 rotatable bonds, 5 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R,6S)-2-ethyl-4,5-bis(phenylmethoxy)-6-phenylsulfanyloxan-3-ol;(3R,4R,6S)-2-ethyl-3-methyl-4,5-bis(phenylmethoxy)-6-phenylsulfanyloxane;(3R,4R,6S)-2-(hydroxymethyl)-4,5-bis(phenylmethoxy)-6-phenylsulfanyloxan-3-ol;[(3R,4R,6S)-3-methyl-4,5-bis(phenylmethoxy)-6-phenylsulfanyloxan-2-yl]methanol;methyl (3S,4R,6S)-3-hydroxy-4,5-bis(phenylmethoxy)-6-phenylsulfanyloxane-2-carboxylate;methyl (3S,4R,6S)-3-methyl-4,5-bis(phenylmethoxy)-6-phenylsulfanyloxane-2-carboxylate is sourced from PubChem (CID 158445977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).