(2R,3R,4S,5R,6R)-2-[2-(2-benzylphenyl)-1,3-dithian-2-yl]-6-ethyl-5-methyl-3,4-bis(phenylmethoxy)oxan-2-ol;[(2S,3R,4S,5R,6R)-2-bromo-6-ethyl-5-methyl-3,4-bis(phenylmethoxy)oxan-2-yl]-phenylmethanone;[(2R,3R,4S,5R,6R)-6-ethyl-2-hydroxy-5-methyl-3,4-bis(phenylmethoxy)oxan-2-yl]-phenylmethanone;(2S,3R,4S,5R,6R)-6-ethyl-2-[hydroxy(phenyl)methyl]-5-methyl-3,4-bis(phenylmethoxy)oxan-2-ol;[(2S,3R,4S,5R,6R)-6-ethyl-5-methyl-3,4-bis(phenylmethoxy)oxan-2-yl]-phenylmethanol;[(2R,3R,4S,5R,6R)-6-ethyl-5-methyl-3,4-bis(phenylmethoxy)oxan-2-yl]-phenylmethanone;(2R,3R,4S,5R,6R)-6-ethyl-5-methyl-2-(2-phenyl-1,3-dithian-2-yl)-3,4-bis(phenylmethoxy)oxan-2-ol

C216H245BrO30S4 — CID 159149571

IUPAC(2R,3R,4S,5R,6R)-2-[2-(2-benzylphenyl)-1,3-dithian-2-yl]-6-ethyl-5-methyl-3,4-bis(phenylmethoxy)oxan-2-ol;[(2S,3R,4S,5R,6R)-2-bromo-6-ethyl-5-methyl-3,4-bis(phenylmethoxy)oxan-2-yl]-phenylmethanone;[(2R,3R,4S,5R,6R)-6-ethyl-2-hydroxy-5-methyl-3,4-bis(phenylmethoxy)oxan-2-yl]-phenylmethanone;(2S,3R,4S,5R,6R)-6-ethyl-2-[hydroxy(phenyl)methyl]-5-methyl-3,4-bis(phenylmethoxy)oxan-2-ol;[(2S,3R,4S,5R,6R)-6-ethyl-5-methyl-3,4-bis(phenylmethoxy)oxan-2-yl]-phenylmethanol;[(2R,3R,4S,5R,6R)-6-ethyl-5-methyl-3,4-bis(phenylmethoxy)oxan-2-yl]-phenylmethanone;(2R,3R,4S,5R,6R)-6-ethyl-5-methyl-2-(2-phenyl-1,3-dithian-2-yl)-3,4-bis(phenylmethoxy)oxan-2-ol
SMILESCC[C@H]1O[C@@H](C(=O)c2ccccc2)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1C.CC[C@H]1O[C@@H](C(O)c2ccccc2)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1C.CC[C@H]1O[C@@](Br)(C(=O)c2ccccc2)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1C.CC[C@H]1O[C@@](O)(C(=O)c2ccccc2)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1C.CC[C@H]1O[C@@](O)(C(O)c2ccccc2)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1C.CC[C@H]1O[C@@](O)(C2(c3ccccc3)SCCCS2)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1C.CC[C@H]1O[C@@](O)(C2(c3ccccc3Cc3ccccc3)SCCCS2)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1C
InChIInChI=1S/C39H44O4S2.C32H38O4S2.C29H31BrO4.C29H34O5.C29H32O5.C29H34O4.C29H32O4/c1-3-35-29(2)36(41-27-31-18-9-5-10-19-31)37(42-28-32-20-11-6-12-21-32)38(40,43-35)39(44-24-15-25-45-39)34-23-14-13-22-33(34)26-30-16-7-4-8-17-30;1-3-28-24(2)29(34-22-25-14-7-4-8-15-25)30(35-23-26-16-9-5-10-17-26)31(33,36-28)32(37-20-13-21-38-32)27-18-11-6-12-19-27;1-3-25-21(2)26(32-19-22-13-7-4-8-14-22)28(33-20-23-15-9-5-10-16-23)29(30,34-25)27(31)24-17-11-6-12-18-24;2*1-3-25-21(2)26(32-19-22-13-7-4-8-14-22)28(33-20-23-15-9-5-10-16-23)29(31,34-25)27(30)24-17-11-6-12-18-24;2*1-3-25-21(2)27(31-19-22-13-7-4-8-14-22)29(32-20-23-15-9-5-10-16-23)28(33-25)26(30)24-17-11-6-12-18-24/h4-14,16-23,29,35-37,40H,3,15,24-28H2,1-2H3;4-12,14-19,24,28-30,33H,3,13,20-23H2,1-2H3;4-18,21,25-26,28H,3,19-20H2,1-2H3;4-18,21,25-28,30-31H,3,19-20H2,1-2H3;4-18,21,25-26,28,31H,3,19-20H2,1-2H3;4-18,21,25-30H,3,19-20H2,1-2H3;4-18,21,25,27-29H,3,19-20H2,1-2H3/t29-,35-,36+,37-,38-;24-,28-,29+,30-,31-;21-,25-,26+,28-,29+;21-,25-,26+,27?,28-,29+;21-,25-,26+,28-,29+;21-,25-,26?,27+,28+,29-;21-,25-,27+,28+,29-/m1111111/s1
InChIKeyKJCJYAFKOSPIDF-LUUBVYROSA-N
MW3529.48 g/mol
LogP43.95
Rot. Bonds65

About (2R,3R,4S,5R,6R)-2-[2-(2-benzylphenyl)-1,3-dithian-2-yl]-6-ethyl-5-methyl-3,4-bis(phenylmethoxy)oxan-2-ol;[(2S,3R,4S,5R,6R)-2-bromo-6-ethyl-5-methyl-3,4-bis(phenylmethoxy)oxan-2-yl]-phenylmethanone;[(2R,3R,4S,5R,6R)-6-ethyl-2-hydroxy-5-methyl-3,4-bis(phenylmethoxy)oxan-2-yl]-phenylmethanone;(2S,3R,4S,5R,6R)-6-ethyl-2-[hydroxy(phenyl)methyl]-5-methyl-3,4-bis(phenylmethoxy)oxan-2-ol;[(2S,3R,4S,5R,6R)-6-ethyl-5-methyl-3,4-bis(phenylmethoxy)oxan-2-yl]-phenylmethanol;[(2R,3R,4S,5R,6R)-6-ethyl-5-methyl-3,4-bis(phenylmethoxy)oxan-2-yl]-phenylmethanone;(2R,3R,4S,5R,6R)-6-ethyl-5-methyl-2-(2-phenyl-1,3-dithian-2-yl)-3,4-bis(phenylmethoxy)oxan-2-ol

(2R,3R,4S,5R,6R)-2-[2-(2-benzylphenyl)-1,3-dithian-2-yl]-6-ethyl-5-methyl-3,4-bis(phenylmethoxy)oxan-2-ol;[(2S,3R,4S,5R,6R)-2-bromo-6-ethyl-5-methyl-3,4-bis(phenylmethoxy)oxan-2-yl]-phenylmethanone;[(2R,3R,4S,5R,6R)-6-ethyl-2-hydroxy-5-methyl-3,4-bis(phenylmethoxy)oxan-2-yl]-phenylmethanone;(2S,3R,4S,5R,6R)-6-ethyl-2-[hydroxy(phenyl)methyl]-5-methyl-3,4-bis(phenylmethoxy)oxan-2-ol;[(2S,3R,4S,5R,6R)-6-ethyl-5-methyl-3,4-bis(phenylmethoxy)oxan-2-yl]-phenylmethanol;[(2R,3R,4S,5R,6R)-6-ethyl-5-methyl-3,4-bis(phenylmethoxy)oxan-2-yl]-phenylmethanone;(2R,3R,4S,5R,6R)-6-ethyl-5-methyl-2-(2-phenyl-1,3-dithian-2-yl)-3,4-bis(phenylmethoxy)oxan-2-ol (PubChem CID 159149571) has the molecular formula C216H245BrO30S4 and a molecular weight of 3529.48 g/mol. Its IUPAC name is (2R,3R,4S,5R,6R)-2-[2-(2-benzylphenyl)-1,3-dithian-2-yl]-6-ethyl-5-methyl-3,4-bis(phenylmethoxy)oxan-2-ol;[(2S,3R,4S,5R,6R)-2-bromo-6-ethyl-5-methyl-3,4-bis(phenylmethoxy)oxan-2-yl]-phenylmethanone;[(2R,3R,4S,5R,6R)-6-ethyl-2-hydroxy-5-methyl-3,4-bis(phenylmethoxy)oxan-2-yl]-phenylmethanone;(2S,3R,4S,5R,6R)-6-ethyl-2-[hydroxy(phenyl)methyl]-5-methyl-3,4-bis(phenylmethoxy)oxan-2-ol;[(2S,3R,4S,5R,6R)-6-ethyl-5-methyl-3,4-bis(phenylmethoxy)oxan-2-yl]-phenylmethanol;[(2R,3R,4S,5R,6R)-6-ethyl-5-methyl-3,4-bis(phenylmethoxy)oxan-2-yl]-phenylmethanone;(2R,3R,4S,5R,6R)-6-ethyl-5-methyl-2-(2-phenyl-1,3-dithian-2-yl)-3,4-bis(phenylmethoxy)oxan-2-ol.

Molecular Properties

Compound Name(2R,3R,4S,5R,6R)-2-[2-(2-benzylphenyl)-1,3-dithian-2-yl]-6-ethyl-5-methyl-3,4-bis(phenylmethoxy)oxan-2-ol;[(2S,3R,4S,5R,6R)-2-bromo-6-ethyl-5-methyl-3,4-bis(phenylmethoxy)oxan-2-yl]-phenylmethanone;[(2R,3R,4S,5R,6R)-6-ethyl-2-hydroxy-5-methyl-3,4-bis(phenylmethoxy)oxan-2-yl]-phenylmethanone;(2S,3R,4S,5R,6R)-6-ethyl-2-[hydroxy(phenyl)methyl]-5-methyl-3,4-bis(phenylmethoxy)oxan-2-ol;[(2S,3R,4S,5R,6R)-6-ethyl-5-methyl-3,4-bis(phenylmethoxy)oxan-2-yl]-phenylmethanol;[(2R,3R,4S,5R,6R)-6-ethyl-5-methyl-3,4-bis(phenylmethoxy)oxan-2-yl]-phenylmethanone;(2R,3R,4S,5R,6R)-6-ethyl-5-methyl-2-(2-phenyl-1,3-dithian-2-yl)-3,4-bis(phenylmethoxy)oxan-2-ol
PubChem CID159149571
Molecular FormulaC216H245BrO30S4
Molecular Weight3529.48 g/mol
Exact Mass3525.57
IUPAC Name(2R,3R,4S,5R,6R)-2-[2-(2-benzylphenyl)-1,3-dithian-2-yl]-6-ethyl-5-methyl-3,4-bis(phenylmethoxy)oxan-2-ol;[(2S,3R,4S,5R,6R)-2-bromo-6-ethyl-5-methyl-3,4-bis(phenylmethoxy)oxan-2-yl]-phenylmethanone;[(2R,3R,4S,5R,6R)-6-ethyl-2-hydroxy-5-methyl-3,4-bis(phenylmethoxy)oxan-2-yl]-phenylmethanone;(2S,3R,4S,5R,6R)-6-ethyl-2-[hydroxy(phenyl)methyl]-5-methyl-3,4-bis(phenylmethoxy)oxan-2-ol;[(2S,3R,4S,5R,6R)-6-ethyl-5-methyl-3,4-bis(phenylmethoxy)oxan-2-yl]-phenylmethanol;[(2R,3R,4S,5R,6R)-6-ethyl-5-methyl-3,4-bis(phenylmethoxy)oxan-2-yl]-phenylmethanone;(2R,3R,4S,5R,6R)-6-ethyl-5-methyl-2-(2-phenyl-1,3-dithian-2-yl)-3,4-bis(phenylmethoxy)oxan-2-ol
SMILESCC[C@H]1O[C@@H](C(=O)c2ccccc2)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1C.CC[C@H]1O[C@@H](C(O)c2ccccc2)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1C.CC[C@H]1O[C@@](Br)(C(=O)c2ccccc2)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1C.CC[C@H]1O[C@@](O)(C(=O)c2ccccc2)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1C.CC[C@H]1O[C@@](O)(C(O)c2ccccc2)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1C.CC[C@H]1O[C@@](O)(C2(c3ccccc3)SCCCS2)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1C.CC[C@H]1O[C@@](O)(C2(c3ccccc3Cc3ccccc3)SCCCS2)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1C
InChIInChI=1S/C39H44O4S2.C32H38O4S2.C29H31BrO4.C29H34O5.C29H32O5.C29H34O4.C29H32O4/c1-3-35-29(2)36(41-27-31-18-9-5-10-19-31)37(42-28-32-20-11-6-12-21-32)38(40,43-35)39(44-24-15-25-45-39)34-23-14-13-22-33(34)26-30-16-7-4-8-17-30;1-3-28-24(2)29(34-22-25-14-7-4-8-15-25)30(35-23-26-16-9-5-10-17-26)31(33,36-28)32(37-20-13-21-38-32)27-18-11-6-12-19-27;1-3-25-21(2)26(32-19-22-13-7-4-8-14-22)28(33-20-23-15-9-5-10-16-23)29(30,34-25)27(31)24-17-11-6-12-18-24;2*1-3-25-21(2)26(32-19-22-13-7-4-8-14-22)28(33-20-23-15-9-5-10-16-23)29(31,34-25)27(30)24-17-11-6-12-18-24;2*1-3-25-21(2)27(31-19-22-13-7-4-8-14-22)29(32-20-23-15-9-5-10-16-23)28(33-25)26(30)24-17-11-6-12-18-24/h4-14,16-23,29,35-37,40H,3,15,24-28H2,1-2H3;4-12,14-19,24,28-30,33H,3,13,20-23H2,1-2H3;4-18,21,25-26,28H,3,19-20H2,1-2H3;4-18,21,25-28,30-31H,3,19-20H2,1-2H3;4-18,21,25-26,28,31H,3,19-20H2,1-2H3;4-18,21,25-30H,3,19-20H2,1-2H3;4-18,21,25,27-29H,3,19-20H2,1-2H3/t29-,35-,36+,37-,38-;24-,28-,29+,30-,31-;21-,25-,26+,28-,29+;21-,25-,26+,27?,28-,29+;21-,25-,26+,28-,29+;21-,25-,26?,27+,28+,29-;21-,25-,27+,28+,29-/m1111111/s1
InChIKeyKJCJYAFKOSPIDF-LUUBVYROSA-N
XLogP43.95
TPSA366.42 Ų
H-Bond Donors6
H-Bond Acceptors34
Rotatable Bonds65
Heavy Atoms251
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003529.48
LogP ≤ 543.95
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1034

Analyze (2R,3R,4S,5R,6R)-2-[2-(2-benzylphenyl)-1,3-dithian-2-yl]-6-ethyl-5-methyl-3,4-bis(phenylmethoxy)oxan-2-ol;[(2S,3R,4S,5R,6R)-2-bromo-6-ethyl-5-methyl-3,4-bis(phenylmethoxy)oxan-2-yl]-phenylmethanone;[(2R,3R,4S,5R,6R)-6-ethyl-2-hydroxy-5-methyl-3,4-bis(phenylmethoxy)oxan-2-yl]-phenylmethanone;(2S,3R,4S,5R,6R)-6-ethyl-2-[hydroxy(phenyl)methyl]-5-methyl-3,4-bis(phenylmethoxy)oxan-2-ol;[(2S,3R,4S,5R,6R)-6-ethyl-5-methyl-3,4-bis(phenylmethoxy)oxan-2-yl]-phenylmethanol;[(2R,3R,4S,5R,6R)-6-ethyl-5-methyl-3,4-bis(phenylmethoxy)oxan-2-yl]-phenylmethanone;(2R,3R,4S,5R,6R)-6-ethyl-5-methyl-2-(2-phenyl-1,3-dithian-2-yl)-3,4-bis(phenylmethoxy)oxan-2-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5R,6R)-2-[2-(2-benzylphenyl)-1,3-dithian-2-yl]-6-ethyl-5-methyl-3,4-bis(phenylmethoxy)oxan-2-ol;[(2S,3R,4S,5R,6R)-2-bromo-6-ethyl-5-methyl-3,4-bis(phenylmethoxy)oxan-2-yl]-phenylmethanone;[(2R,3R,4S,5R,6R)-6-ethyl-2-hydroxy-5-methyl-3,4-bis(phenylmethoxy)oxan-2-yl]-phenylmethanone;(2S,3R,4S,5R,6R)-6-ethyl-2-[hydroxy(phenyl)methyl]-5-methyl-3,4-bis(phenylmethoxy)oxan-2-ol;[(2S,3R,4S,5R,6R)-6-ethyl-5-methyl-3,4-bis(phenylmethoxy)oxan-2-yl]-phenylmethanol;[(2R,3R,4S,5R,6R)-6-ethyl-5-methyl-3,4-bis(phenylmethoxy)oxan-2-yl]-phenylmethanone;(2R,3R,4S,5R,6R)-6-ethyl-5-methyl-2-(2-phenyl-1,3-dithian-2-yl)-3,4-bis(phenylmethoxy)oxan-2-ol?
The IUPAC name of (2R,3R,4S,5R,6R)-2-[2-(2-benzylphenyl)-1,3-dithian-2-yl]-6-ethyl-5-methyl-3,4-bis(phenylmethoxy)oxan-2-ol;[(2S,3R,4S,5R,6R)-2-bromo-6-ethyl-5-methyl-3,4-bis(phenylmethoxy)oxan-2-yl]-phenylmethanone;[(2R,3R,4S,5R,6R)-6-ethyl-2-hydroxy-5-methyl-3,4-bis(phenylmethoxy)oxan-2-yl]-phenylmethanone;(2S,3R,4S,5R,6R)-6-ethyl-2-[hydroxy(phenyl)methyl]-5-methyl-3,4-bis(phenylmethoxy)oxan-2-ol;[(2S,3R,4S,5R,6R)-6-ethyl-5-methyl-3,4-bis(phenylmethoxy)oxan-2-yl]-phenylmethanol;[(2R,3R,4S,5R,6R)-6-ethyl-5-methyl-3,4-bis(phenylmethoxy)oxan-2-yl]-phenylmethanone;(2R,3R,4S,5R,6R)-6-ethyl-5-methyl-2-(2-phenyl-1,3-dithian-2-yl)-3,4-bis(phenylmethoxy)oxan-2-ol (CID 159149571) is (2R,3R,4S,5R,6R)-2-[2-(2-benzylphenyl)-1,3-dithian-2-yl]-6-ethyl-5-methyl-3,4-bis(phenylmethoxy)oxan-2-ol;[(2S,3R,4S,5R,6R)-2-bromo-6-ethyl-5-methyl-3,4-bis(phenylmethoxy)oxan-2-yl]-phenylmethanone;[(2R,3R,4S,5R,6R)-6-ethyl-2-hydroxy-5-methyl-3,4-bis(phenylmethoxy)oxan-2-yl]-phenylmethanone;(2S,3R,4S,5R,6R)-6-ethyl-2-[hydroxy(phenyl)methyl]-5-methyl-3,4-bis(phenylmethoxy)oxan-2-ol;[(2S,3R,4S,5R,6R)-6-ethyl-5-methyl-3,4-bis(phenylmethoxy)oxan-2-yl]-phenylmethanol;[(2R,3R,4S,5R,6R)-6-ethyl-5-methyl-3,4-bis(phenylmethoxy)oxan-2-yl]-phenylmethanone;(2R,3R,4S,5R,6R)-6-ethyl-5-methyl-2-(2-phenyl-1,3-dithian-2-yl)-3,4-bis(phenylmethoxy)oxan-2-ol.
What is the SMILES notation for (2R,3R,4S,5R,6R)-2-[2-(2-benzylphenyl)-1,3-dithian-2-yl]-6-ethyl-5-methyl-3,4-bis(phenylmethoxy)oxan-2-ol;[(2S,3R,4S,5R,6R)-2-bromo-6-ethyl-5-methyl-3,4-bis(phenylmethoxy)oxan-2-yl]-phenylmethanone;[(2R,3R,4S,5R,6R)-6-ethyl-2-hydroxy-5-methyl-3,4-bis(phenylmethoxy)oxan-2-yl]-phenylmethanone;(2S,3R,4S,5R,6R)-6-ethyl-2-[hydroxy(phenyl)methyl]-5-methyl-3,4-bis(phenylmethoxy)oxan-2-ol;[(2S,3R,4S,5R,6R)-6-ethyl-5-methyl-3,4-bis(phenylmethoxy)oxan-2-yl]-phenylmethanol;[(2R,3R,4S,5R,6R)-6-ethyl-5-methyl-3,4-bis(phenylmethoxy)oxan-2-yl]-phenylmethanone;(2R,3R,4S,5R,6R)-6-ethyl-5-methyl-2-(2-phenyl-1,3-dithian-2-yl)-3,4-bis(phenylmethoxy)oxan-2-ol?
The canonical SMILES for (2R,3R,4S,5R,6R)-2-[2-(2-benzylphenyl)-1,3-dithian-2-yl]-6-ethyl-5-methyl-3,4-bis(phenylmethoxy)oxan-2-ol;[(2S,3R,4S,5R,6R)-2-bromo-6-ethyl-5-methyl-3,4-bis(phenylmethoxy)oxan-2-yl]-phenylmethanone;[(2R,3R,4S,5R,6R)-6-ethyl-2-hydroxy-5-methyl-3,4-bis(phenylmethoxy)oxan-2-yl]-phenylmethanone;(2S,3R,4S,5R,6R)-6-ethyl-2-[hydroxy(phenyl)methyl]-5-methyl-3,4-bis(phenylmethoxy)oxan-2-ol;[(2S,3R,4S,5R,6R)-6-ethyl-5-methyl-3,4-bis(phenylmethoxy)oxan-2-yl]-phenylmethanol;[(2R,3R,4S,5R,6R)-6-ethyl-5-methyl-3,4-bis(phenylmethoxy)oxan-2-yl]-phenylmethanone;(2R,3R,4S,5R,6R)-6-ethyl-5-methyl-2-(2-phenyl-1,3-dithian-2-yl)-3,4-bis(phenylmethoxy)oxan-2-ol is CC[C@H]1O[C@@H](C(=O)c2ccccc2)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1C.CC[C@H]1O[C@@H](C(O)c2ccccc2)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1C.CC[C@H]1O[C@@](Br)(C(=O)c2ccccc2)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1C.CC[C@H]1O[C@@](O)(C(=O)c2ccccc2)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1C.CC[C@H]1O[C@@](O)(C(O)c2ccccc2)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1C.CC[C@H]1O[C@@](O)(C2(c3ccccc3)SCCCS2)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1C.CC[C@H]1O[C@@](O)(C2(c3ccccc3Cc3ccccc3)SCCCS2)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1C.
What is the InChIKey of (2R,3R,4S,5R,6R)-2-[2-(2-benzylphenyl)-1,3-dithian-2-yl]-6-ethyl-5-methyl-3,4-bis(phenylmethoxy)oxan-2-ol;[(2S,3R,4S,5R,6R)-2-bromo-6-ethyl-5-methyl-3,4-bis(phenylmethoxy)oxan-2-yl]-phenylmethanone;[(2R,3R,4S,5R,6R)-6-ethyl-2-hydroxy-5-methyl-3,4-bis(phenylmethoxy)oxan-2-yl]-phenylmethanone;(2S,3R,4S,5R,6R)-6-ethyl-2-[hydroxy(phenyl)methyl]-5-methyl-3,4-bis(phenylmethoxy)oxan-2-ol;[(2S,3R,4S,5R,6R)-6-ethyl-5-methyl-3,4-bis(phenylmethoxy)oxan-2-yl]-phenylmethanol;[(2R,3R,4S,5R,6R)-6-ethyl-5-methyl-3,4-bis(phenylmethoxy)oxan-2-yl]-phenylmethanone;(2R,3R,4S,5R,6R)-6-ethyl-5-methyl-2-(2-phenyl-1,3-dithian-2-yl)-3,4-bis(phenylmethoxy)oxan-2-ol?
The InChIKey is KJCJYAFKOSPIDF-LUUBVYROSA-N. The full InChI is InChI=1S/C39H44O4S2.C32H38O4S2.C29H31BrO4.C29H34O5.C29H32O5.C29H34O4.C29H32O4/c1-3-35-29(2)36(41-27-31-18-9-5-10-19-31)37(42-28-32-20-11-6-12-21-32)38(40,43-35)39(44-24-15-25-45-39)34-23-14-13-22-33(34)26-30-16-7-4-8-17-30;1-3-28-24(2)29(34-22-25-14-7-4-8-15-25)30(35-23-26-16-9-5-10-17-26)31(33,36-28)32(37-20-13-21-38-32)27-18-11-6-12-19-27;1-3-25-21(2)26(32-19-22-13-7-4-8-14-22)28(33-20-23-15-9-5-10-16-23)29(30,34-25)27(31)24-17-11-6-12-18-24;2*1-3-25-21(2)26(32-19-22-13-7-4-8-14-22)28(33-20-23-15-9-5-10-16-23)29(31,34-25)27(30)24-17-11-6-12-18-24;2*1-3-25-21(2)27(31-19-22-13-7-4-8-14-22)29(32-20-23-15-9-5-10-16-23)28(33-25)26(30)24-17-11-6-12-18-24/h4-14,16-23,29,35-37,40H,3,15,24-28H2,1-2H3;4-12,14-19,24,28-30,33H,3,13,20-23H2,1-2H3;4-18,21,25-26,28H,3,19-20H2,1-2H3;4-18,21,25-28,30-31H,3,19-20H2,1-2H3;4-18,21,25-26,28,31H,3,19-20H2,1-2H3;4-18,21,25-30H,3,19-20H2,1-2H3;4-18,21,25,27-29H,3,19-20H2,1-2H3/t29-,35-,36+,37-,38-;24-,28-,29+,30-,31-;21-,25-,26+,28-,29+;21-,25-,26+,27?,28-,29+;21-,25-,26+,28-,29+;21-,25-,26?,27+,28+,29-;21-,25-,27+,28+,29-/m1111111/s1.
What are the key properties of (2R,3R,4S,5R,6R)-2-[2-(2-benzylphenyl)-1,3-dithian-2-yl]-6-ethyl-5-methyl-3,4-bis(phenylmethoxy)oxan-2-ol;[(2S,3R,4S,5R,6R)-2-bromo-6-ethyl-5-methyl-3,4-bis(phenylmethoxy)oxan-2-yl]-phenylmethanone;[(2R,3R,4S,5R,6R)-6-ethyl-2-hydroxy-5-methyl-3,4-bis(phenylmethoxy)oxan-2-yl]-phenylmethanone;(2S,3R,4S,5R,6R)-6-ethyl-2-[hydroxy(phenyl)methyl]-5-methyl-3,4-bis(phenylmethoxy)oxan-2-ol;[(2S,3R,4S,5R,6R)-6-ethyl-5-methyl-3,4-bis(phenylmethoxy)oxan-2-yl]-phenylmethanol;[(2R,3R,4S,5R,6R)-6-ethyl-5-methyl-3,4-bis(phenylmethoxy)oxan-2-yl]-phenylmethanone;(2R,3R,4S,5R,6R)-6-ethyl-5-methyl-2-(2-phenyl-1,3-dithian-2-yl)-3,4-bis(phenylmethoxy)oxan-2-ol?
(2R,3R,4S,5R,6R)-2-[2-(2-benzylphenyl)-1,3-dithian-2-yl]-6-ethyl-5-methyl-3,4-bis(phenylmethoxy)oxan-2-ol;[(2S,3R,4S,5R,6R)-2-bromo-6-ethyl-5-methyl-3,4-bis(phenylmethoxy)oxan-2-yl]-phenylmethanone;[(2R,3R,4S,5R,6R)-6-ethyl-2-hydroxy-5-methyl-3,4-bis(phenylmethoxy)oxan-2-yl]-phenylmethanone;(2S,3R,4S,5R,6R)-6-ethyl-2-[hydroxy(phenyl)methyl]-5-methyl-3,4-bis(phenylmethoxy)oxan-2-ol;[(2S,3R,4S,5R,6R)-6-ethyl-5-methyl-3,4-bis(phenylmethoxy)oxan-2-yl]-phenylmethanol;[(2R,3R,4S,5R,6R)-6-ethyl-5-methyl-3,4-bis(phenylmethoxy)oxan-2-yl]-phenylmethanone;(2R,3R,4S,5R,6R)-6-ethyl-5-methyl-2-(2-phenyl-1,3-dithian-2-yl)-3,4-bis(phenylmethoxy)oxan-2-ol has a molecular weight of 3529.48 g/mol, XLogP of 43.95, 65 rotatable bonds, 6 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5R,6R)-2-[2-(2-benzylphenyl)-1,3-dithian-2-yl]-6-ethyl-5-methyl-3,4-bis(phenylmethoxy)oxan-2-ol;[(2S,3R,4S,5R,6R)-2-bromo-6-ethyl-5-methyl-3,4-bis(phenylmethoxy)oxan-2-yl]-phenylmethanone;[(2R,3R,4S,5R,6R)-6-ethyl-2-hydroxy-5-methyl-3,4-bis(phenylmethoxy)oxan-2-yl]-phenylmethanone;(2S,3R,4S,5R,6R)-6-ethyl-2-[hydroxy(phenyl)methyl]-5-methyl-3,4-bis(phenylmethoxy)oxan-2-ol;[(2S,3R,4S,5R,6R)-6-ethyl-5-methyl-3,4-bis(phenylmethoxy)oxan-2-yl]-phenylmethanol;[(2R,3R,4S,5R,6R)-6-ethyl-5-methyl-3,4-bis(phenylmethoxy)oxan-2-yl]-phenylmethanone;(2R,3R,4S,5R,6R)-6-ethyl-5-methyl-2-(2-phenyl-1,3-dithian-2-yl)-3,4-bis(phenylmethoxy)oxan-2-ol is sourced from PubChem (CID 159149571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).