(1R,2S,3S,4R,5S)-1-(2-amino-1-hydroxyethyl)-5-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-6,8-dioxabicyclo[3.2.1]octane-2,3,4-triol;(1R,2S,3S,4R,5S)-5-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-1-(1,2-dihydroxyethyl)-6,8-dioxabicyclo[3.2.1]octane-2,3,4-triol;(1R,2S,3S,4R,5S)-5-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-1-(1-hydroxybutyl)-6,8-dioxabicyclo[3.2.1]octane-2,3,4-triol;(1R,2S,3S,4R,5S)-5-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-1-(hydroxymethyl)-7,7-dimethyl-6,8-dioxabicyclo[3.2.1]octane-2,3,4-triol;(1R,2S,3S,4R,5S)-5-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-1-(hydroxymethyl)-7-methyl-6,8-dioxabicyclo[3.2.1]octane-2,3,4-triol;1-[(1S,2S,3S,4R,5S)-5-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-2,3,4-trihydroxy-6,8-dioxabicyclo[3.2.1]octan-1-yl]ethyl ethyl carbonate

C144H173Cl6NO45 — CID 159737947

About (1R,2S,3S,4R,5S)-1-(2-amino-1-hydroxyethyl)-5-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-6,8-dioxabicyclo[3.2.1]octane-2,3,4-triol;(1R,2S,3S,4R,5S)-5-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-1-(1,2-dihydroxyethyl)-6,8-dioxabicyclo[3.2.1]octane-2,3,4-triol;(1R,2S,3S,4R,5S)-5-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-1-(1-hydroxybutyl)-6,8-dioxabicyclo[3.2.1]octane-2,3,4-triol;(1R,2S,3S,4R,5S)-5-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-1-(hydroxymethyl)-7,7-dimethyl-6,8-dioxabicyclo[3.2.1]octane-2,3,4-triol;(1R,2S,3S,4R,5S)-5-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-1-(hydroxymethyl)-7-methyl-6,8-dioxabicyclo[3.2.1]octane-2,3,4-triol;1-[(1S,2S,3S,4R,5S)-5-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-2,3,4-trihydroxy-6,8-dioxabicyclo[3.2.1]octan-1-yl]ethyl ethyl carbonate

(1R,2S,3S,4R,5S)-1-(2-amino-1-hydroxyethyl)-5-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-6,8-dioxabicyclo[3.2.1]octane-2,3,4-triol;(1R,2S,3S,4R,5S)-5-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-1-(1,2-dihydroxyethyl)-6,8-dioxabicyclo[3.2.1]octane-2,3,4-triol;(1R,2S,3S,4R,5S)-5-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-1-(1-hydroxybutyl)-6,8-dioxabicyclo[3.2.1]octane-2,3,4-triol;(1R,2S,3S,4R,5S)-5-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-1-(hydroxymethyl)-7,7-dimethyl-6,8-dioxabicyclo[3.2.1]octane-2,3,4-triol;(1R,2S,3S,4R,5S)-5-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-1-(hydroxymethyl)-7-methyl-6,8-dioxabicyclo[3.2.1]octane-2,3,4-triol;1-[(1S,2S,3S,4R,5S)-5-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-2,3,4-trihydroxy-6,8-dioxabicyclo[3.2.1]octan-1-yl]ethyl ethyl carbonate (PubChem CID 159737947) has the molecular formula C144H173Cl6NO45 and a molecular weight of 2850.65 g/mol. Its IUPAC name is (1R,2S,3S,4R,5S)-1-(2-amino-1-hydroxyethyl)-5-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-6,8-dioxabicyclo[3.2.1]octane-2,3,4-triol;(1R,2S,3S,4R,5S)-5-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-1-(1,2-dihydroxyethyl)-6,8-dioxabicyclo[3.2.1]octane-2,3,4-triol;(1R,2S,3S,4R,5S)-5-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-1-(1-hydroxybutyl)-6,8-dioxabicyclo[3.2.1]octane-2,3,4-triol;(1R,2S,3S,4R,5S)-5-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-1-(hydroxymethyl)-7,7-dimethyl-6,8-dioxabicyclo[3.2.1]octane-2,3,4-triol;(1R,2S,3S,4R,5S)-5-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-1-(hydroxymethyl)-7-methyl-6,8-dioxabicyclo[3.2.1]octane-2,3,4-triol;1-[(1S,2S,3S,4R,5S)-5-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-2,3,4-trihydroxy-6,8-dioxabicyclo[3.2.1]octan-1-yl]ethyl ethyl carbonate.

Molecular Properties

• Compound Name: (1R,2S,3S,4R,5S)-1-(2-amino-1-hydroxyethyl)-5-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-6,8-dioxabicyclo[3.2.1]octane-2,3,4-triol;(1R,2S,3S,4R,5S)-5-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-1-(1,2-dihydroxyethyl)-6,8-dioxabicyclo[3.2.1]octane-2,3,4-triol;(1R,2S,3S,4R,5S)-5-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-1-(1-hydroxybutyl)-6,8-dioxabicyclo[3.2.1]octane-2,3,4-triol;(1R,2S,3S,4R,5S)-5-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-1-(hydroxymethyl)-7,7-dimethyl-6,8-dioxabicyclo[3.2.1]octane-2,3,4-triol;(1R,2S,3S,4R,5S)-5-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-1-(hydroxymethyl)-7-methyl-6,8-dioxabicyclo[3.2.1]octane-2,3,4-triol;1-[(1S,2S,3S,4R,5S)-5-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-2,3,4-trihydroxy-6,8-dioxabicyclo[3.2.1]octan-1-yl]ethyl ethyl carbonate
• PubChem CID: 159737947
• Molecular Formula: C144H173Cl6NO45
• Molecular Weight: 2850.65 g/mol
• Exact Mass: 2845.94
• IUPAC Name: (1R,2S,3S,4R,5S)-1-(2-amino-1-hydroxyethyl)-5-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-6,8-dioxabicyclo[3.2.1]octane-2,3,4-triol;(1R,2S,3S,4R,5S)-5-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-1-(1,2-dihydroxyethyl)-6,8-dioxabicyclo[3.2.1]octane-2,3,4-triol;(1R,2S,3S,4R,5S)-5-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-1-(1-hydroxybutyl)-6,8-dioxabicyclo[3.2.1]octane-2,3,4-triol;(1R,2S,3S,4R,5S)-5-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-1-(hydroxymethyl)-7,7-dimethyl-6,8-dioxabicyclo[3.2.1]octane-2,3,4-triol;(1R,2S,3S,4R,5S)-5-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-1-(hydroxymethyl)-7-methyl-6,8-dioxabicyclo[3.2.1]octane-2,3,4-triol;1-[(1S,2S,3S,4R,5S)-5-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-2,3,4-trihydroxy-6,8-dioxabicyclo[3.2.1]octan-1-yl]ethyl ethyl carbonate
• SMILES: CCCC(O)[C@@]12CO[C@@](c3ccc(Cl)c(Cc4ccc(OCC)cc4)c3)(O1)[C@H](O)[C@@H](O)[C@@H]2O.CCOC(=O)OC(C)[C@@]12CO[C@@](c3ccc(Cl)c(Cc4ccc(OCC)cc4)c3)(O1)[C@H](O)[C@@H](O)[C@@H]2O.CCOc1ccc(Cc2cc([C@]34OC(C)(C)[C@](CO)(O3)[C@@H](O)[C@H](O)[C@H]4O)ccc2Cl)cc1.CCOc1ccc(Cc2cc([C@]34OC(C)[C@](CO)(O3)[C@@H](O)[C@H](O)[C@H]4O)ccc2Cl)cc1.CCOc1ccc(Cc2cc([C@]34OC[C@](C(O)CN)(O3)[C@@H](O)[C@H](O)[C@H]4O)ccc2Cl)cc1.CCOc1ccc(Cc2cc([C@]34OC[C@](C(O)CO)(O3)[C@@H](O)[C@H](O)[C@H]4O)ccc2Cl)cc1
• InChI: InChI=1S/C26H31ClO9.C25H31ClO7.C24H29ClO7.C23H28ClNO7.C23H27ClO8.C23H27ClO7/c1-4-32-19-9-6-16(7-10-19)12-17-13-18(8-11-20(17)27)26-23(30)21(28)22(29)25(36-26,14-34-26)15(3)35-24(31)33-5-2;1-3-5-20(27)24-14-32-25(33-24,23(30)21(28)22(24)29)17-8-11-19(26)16(13-17)12-15-6-9-18(10-7-15)31-4-2;1-4-30-17-8-5-14(6-9-17)11-15-12-16(7-10-18(15)25)24-21(29)19(27)20(28)23(13-26,32-24)22(2,3)31-24;2*1-2-30-16-6-3-13(4-7-16)9-14-10-15(5-8-17(14)24)23-21(29)19(27)20(28)22(32-23,12-31-23)18(26)11-25;1-3-29-17-7-4-14(5-8-17)10-15-11-16(6-9-18(15)24)23-21(28)19(26)20(27)22(12-25,31-23)13(2)30-23/h6-11,13,15,21-23,28-30H,4-5,12,14H2,1-3H3;6-11,13,20-23,27-30H,3-5,12,14H2,1-2H3;5-10,12,19-21,26-29H,4,11,13H2,1-3H3;3-8,10,18-21,26-29H,2,9,11-12,25H2,1H3;3-8,10,18-21,25-29H,2,9,11-12H2,1H3;4-9,11,13,19-21,25-28H,3,10,12H2,1-2H3/t15?,21-,22-,23+,25+,26-;20?,21-,22-,23+,24+,25-;19-,20-,21+,23+,24-;2*18?,19-,20-,21+,22+,23-;13?,19-,20-,21+,22-,23-/m000000/s1
• InChIKey: NCBOPTIMDSUKMS-IWKPUQIDSA-N
• XLogP: 10.73
• TPSA: 713.21 Ų
• H-Bond Donors: 25
• H-Bond Acceptors: 46
• Rotatable Bonds: 42
• Heavy Atoms: 196
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2850.65
LogP ≤ 5	10.73
H-Bond Donors ≤ 5	25
H-Bond Acceptors ≤ 10	46

Frequently Asked Questions

What is the IUPAC name of (1R,2S,3S,4R,5S)-1-(2-amino-1-hydroxyethyl)-5-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-6,8-dioxabicyclo[3.2.1]octane-2,3,4-triol;(1R,2S,3S,4R,5S)-5-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-1-(1,2-dihydroxyethyl)-6,8-dioxabicyclo[3.2.1]octane-2,3,4-triol;(1R,2S,3S,4R,5S)-5-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-1-(1-hydroxybutyl)-6,8-dioxabicyclo[3.2.1]octane-2,3,4-triol;(1R,2S,3S,4R,5S)-5-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-1-(hydroxymethyl)-7,7-dimethyl-6,8-dioxabicyclo[3.2.1]octane-2,3,4-triol;(1R,2S,3S,4R,5S)-5-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-1-(hydroxymethyl)-7-methyl-6,8-dioxabicyclo[3.2.1]octane-2,3,4-triol;1-[(1S,2S,3S,4R,5S)-5-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-2,3,4-trihydroxy-6,8-dioxabicyclo[3.2.1]octan-1-yl]ethyl ethyl carbonate?

The IUPAC name of (1R,2S,3S,4R,5S)-1-(2-amino-1-hydroxyethyl)-5-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-6,8-dioxabicyclo[3.2.1]octane-2,3,4-triol;(1R,2S,3S,4R,5S)-5-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-1-(1,2-dihydroxyethyl)-6,8-dioxabicyclo[3.2.1]octane-2,3,4-triol;(1R,2S,3S,4R,5S)-5-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-1-(1-hydroxybutyl)-6,8-dioxabicyclo[3.2.1]octane-2,3,4-triol;(1R,2S,3S,4R,5S)-5-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-1-(hydroxymethyl)-7,7-dimethyl-6,8-dioxabicyclo[3.2.1]octane-2,3,4-triol;(1R,2S,3S,4R,5S)-5-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-1-(hydroxymethyl)-7-methyl-6,8-dioxabicyclo[3.2.1]octane-2,3,4-triol;1-[(1S,2S,3S,4R,5S)-5-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-2,3,4-trihydroxy-6,8-dioxabicyclo[3.2.1]octan-1-yl]ethyl ethyl carbonate (CID 159737947) is (1R,2S,3S,4R,5S)-1-(2-amino-1-hydroxyethyl)-5-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-6,8-dioxabicyclo[3.2.1]octane-2,3,4-triol;(1R,2S,3S,4R,5S)-5-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-1-(1,2-dihydroxyethyl)-6,8-dioxabicyclo[3.2.1]octane-2,3,4-triol;(1R,2S,3S,4R,5S)-5-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-1-(1-hydroxybutyl)-6,8-dioxabicyclo[3.2.1]octane-2,3,4-triol;(1R,2S,3S,4R,5S)-5-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-1-(hydroxymethyl)-7,7-dimethyl-6,8-dioxabicyclo[3.2.1]octane-2,3,4-triol;(1R,2S,3S,4R,5S)-5-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-1-(hydroxymethyl)-7-methyl-6,8-dioxabicyclo[3.2.1]octane-2,3,4-triol;1-[(1S,2S,3S,4R,5S)-5-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-2,3,4-trihydroxy-6,8-dioxabicyclo[3.2.1]octan-1-yl]ethyl ethyl carbonate.

What is the SMILES notation for (1R,2S,3S,4R,5S)-1-(2-amino-1-hydroxyethyl)-5-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-6,8-dioxabicyclo[3.2.1]octane-2,3,4-triol;(1R,2S,3S,4R,5S)-5-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-1-(1,2-dihydroxyethyl)-6,8-dioxabicyclo[3.2.1]octane-2,3,4-triol;(1R,2S,3S,4R,5S)-5-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-1-(1-hydroxybutyl)-6,8-dioxabicyclo[3.2.1]octane-2,3,4-triol;(1R,2S,3S,4R,5S)-5-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-1-(hydroxymethyl)-7,7-dimethyl-6,8-dioxabicyclo[3.2.1]octane-2,3,4-triol;(1R,2S,3S,4R,5S)-5-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-1-(hydroxymethyl)-7-methyl-6,8-dioxabicyclo[3.2.1]octane-2,3,4-triol;1-[(1S,2S,3S,4R,5S)-5-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-2,3,4-trihydroxy-6,8-dioxabicyclo[3.2.1]octan-1-yl]ethyl ethyl carbonate?

The canonical SMILES for (1R,2S,3S,4R,5S)-1-(2-amino-1-hydroxyethyl)-5-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-6,8-dioxabicyclo[3.2.1]octane-2,3,4-triol;(1R,2S,3S,4R,5S)-5-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-1-(1,2-dihydroxyethyl)-6,8-dioxabicyclo[3.2.1]octane-2,3,4-triol;(1R,2S,3S,4R,5S)-5-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-1-(1-hydroxybutyl)-6,8-dioxabicyclo[3.2.1]octane-2,3,4-triol;(1R,2S,3S,4R,5S)-5-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-1-(hydroxymethyl)-7,7-dimethyl-6,8-dioxabicyclo[3.2.1]octane-2,3,4-triol;(1R,2S,3S,4R,5S)-5-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-1-(hydroxymethyl)-7-methyl-6,8-dioxabicyclo[3.2.1]octane-2,3,4-triol;1-[(1S,2S,3S,4R,5S)-5-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-2,3,4-trihydroxy-6,8-dioxabicyclo[3.2.1]octan-1-yl]ethyl ethyl carbonate is CCCC(O)[C@@]12CO[C@@](c3ccc(Cl)c(Cc4ccc(OCC)cc4)c3)(O1)[C@H](O)[C@@H](O)[C@@H]2O.CCOC(=O)OC(C)[C@@]12CO[C@@](c3ccc(Cl)c(Cc4ccc(OCC)cc4)c3)(O1)[C@H](O)[C@@H](O)[C@@H]2O.CCOc1ccc(Cc2cc([C@]34OC(C)(C)[C@](CO)(O3)[C@@H](O)[C@H](O)[C@H]4O)ccc2Cl)cc1.CCOc1ccc(Cc2cc([C@]34OC(C)[C@](CO)(O3)[C@@H](O)[C@H](O)[C@H]4O)ccc2Cl)cc1.CCOc1ccc(Cc2cc([C@]34OC[C@](C(O)CN)(O3)[C@@H](O)[C@H](O)[C@H]4O)ccc2Cl)cc1.CCOc1ccc(Cc2cc([C@]34OC[C@](C(O)CO)(O3)[C@@H](O)[C@H](O)[C@H]4O)ccc2Cl)cc1.

What is the InChIKey of (1R,2S,3S,4R,5S)-1-(2-amino-1-hydroxyethyl)-5-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-6,8-dioxabicyclo[3.2.1]octane-2,3,4-triol;(1R,2S,3S,4R,5S)-5-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-1-(1,2-dihydroxyethyl)-6,8-dioxabicyclo[3.2.1]octane-2,3,4-triol;(1R,2S,3S,4R,5S)-5-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-1-(1-hydroxybutyl)-6,8-dioxabicyclo[3.2.1]octane-2,3,4-triol;(1R,2S,3S,4R,5S)-5-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-1-(hydroxymethyl)-7,7-dimethyl-6,8-dioxabicyclo[3.2.1]octane-2,3,4-triol;(1R,2S,3S,4R,5S)-5-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-1-(hydroxymethyl)-7-methyl-6,8-dioxabicyclo[3.2.1]octane-2,3,4-triol;1-[(1S,2S,3S,4R,5S)-5-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-2,3,4-trihydroxy-6,8-dioxabicyclo[3.2.1]octan-1-yl]ethyl ethyl carbonate?

The InChIKey is NCBOPTIMDSUKMS-IWKPUQIDSA-N. The full InChI is InChI=1S/C26H31ClO9.C25H31ClO7.C24H29ClO7.C23H28ClNO7.C23H27ClO8.C23H27ClO7/c1-4-32-19-9-6-16(7-10-19)12-17-13-18(8-11-20(17)27)26-23(30)21(28)22(29)25(36-26,14-34-26)15(3)35-24(31)33-5-2;1-3-5-20(27)24-14-32-25(33-24,23(30)21(28)22(24)29)17-8-11-19(26)16(13-17)12-15-6-9-18(10-7-15)31-4-2;1-4-30-17-8-5-14(6-9-17)11-15-12-16(7-10-18(15)25)24-21(29)19(27)20(28)23(13-26,32-24)22(2,3)31-24;2*1-2-30-16-6-3-13(4-7-16)9-14-10-15(5-8-17(14)24)23-21(29)19(27)20(28)22(32-23,12-31-23)18(26)11-25;1-3-29-17-7-4-14(5-8-17)10-15-11-16(6-9-18(15)24)23-21(28)19(26)20(27)22(12-25,31-23)13(2)30-23/h6-11,13,15,21-23,28-30H,4-5,12,14H2,1-3H3;6-11,13,20-23,27-30H,3-5,12,14H2,1-2H3;5-10,12,19-21,26-29H,4,11,13H2,1-3H3;3-8,10,18-21,26-29H,2,9,11-12,25H2,1H3;3-8,10,18-21,25-29H,2,9,11-12H2,1H3;4-9,11,13,19-21,25-28H,3,10,12H2,1-2H3/t15?,21-,22-,23+,25+,26-;20?,21-,22-,23+,24+,25-;19-,20-,21+,23+,24-;2*18?,19-,20-,21+,22+,23-;13?,19-,20-,21+,22-,23-/m000000/s1.

What are the key properties of (1R,2S,3S,4R,5S)-1-(2-amino-1-hydroxyethyl)-5-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-6,8-dioxabicyclo[3.2.1]octane-2,3,4-triol;(1R,2S,3S,4R,5S)-5-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-1-(1,2-dihydroxyethyl)-6,8-dioxabicyclo[3.2.1]octane-2,3,4-triol;(1R,2S,3S,4R,5S)-5-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-1-(1-hydroxybutyl)-6,8-dioxabicyclo[3.2.1]octane-2,3,4-triol;(1R,2S,3S,4R,5S)-5-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-1-(hydroxymethyl)-7,7-dimethyl-6,8-dioxabicyclo[3.2.1]octane-2,3,4-triol;(1R,2S,3S,4R,5S)-5-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-1-(hydroxymethyl)-7-methyl-6,8-dioxabicyclo[3.2.1]octane-2,3,4-triol;1-[(1S,2S,3S,4R,5S)-5-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-2,3,4-trihydroxy-6,8-dioxabicyclo[3.2.1]octan-1-yl]ethyl ethyl carbonate?

(1R,2S,3S,4R,5S)-1-(2-amino-1-hydroxyethyl)-5-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-6,8-dioxabicyclo[3.2.1]octane-2,3,4-triol;(1R,2S,3S,4R,5S)-5-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-1-(1,2-dihydroxyethyl)-6,8-dioxabicyclo[3.2.1]octane-2,3,4-triol;(1R,2S,3S,4R,5S)-5-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-1-(1-hydroxybutyl)-6,8-dioxabicyclo[3.2.1]octane-2,3,4-triol;(1R,2S,3S,4R,5S)-5-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-1-(hydroxymethyl)-7,7-dimethyl-6,8-dioxabicyclo[3.2.1]octane-2,3,4-triol;(1R,2S,3S,4R,5S)-5-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-1-(hydroxymethyl)-7-methyl-6,8-dioxabicyclo[3.2.1]octane-2,3,4-triol;1-[(1S,2S,3S,4R,5S)-5-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-2,3,4-trihydroxy-6,8-dioxabicyclo[3.2.1]octan-1-yl]ethyl ethyl carbonate has a molecular weight of 2850.65 g/mol, XLogP of 10.73, 42 rotatable bonds, 25 hydrogen bond donors, and 46 hydrogen bond acceptors.

Where does this data come from?

All data for (1R,2S,3S,4R,5S)-1-(2-amino-1-hydroxyethyl)-5-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-6,8-dioxabicyclo[3.2.1]octane-2,3,4-triol;(1R,2S,3S,4R,5S)-5-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-1-(1,2-dihydroxyethyl)-6,8-dioxabicyclo[3.2.1]octane-2,3,4-triol;(1R,2S,3S,4R,5S)-5-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-1-(1-hydroxybutyl)-6,8-dioxabicyclo[3.2.1]octane-2,3,4-triol;(1R,2S,3S,4R,5S)-5-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-1-(hydroxymethyl)-7,7-dimethyl-6,8-dioxabicyclo[3.2.1]octane-2,3,4-triol;(1R,2S,3S,4R,5S)-5-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-1-(hydroxymethyl)-7-methyl-6,8-dioxabicyclo[3.2.1]octane-2,3,4-triol;1-[(1S,2S,3S,4R,5S)-5-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-2,3,4-trihydroxy-6,8-dioxabicyclo[3.2.1]octan-1-yl]ethyl ethyl carbonate is sourced from PubChem (CID 159737947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).