(2R,3R,4R,5S)-3,4-bis[(2,4-dichlorophenyl)methoxy]-2-[(2,4-dichlorophenyl)methoxymethyl]-5-methoxyoxolane;(2S,3S,4R,5R)-4-[(2,4-dichlorophenyl)methoxy]-5-[(2,4-dichlorophenyl)methoxymethyl]-2-methoxy-3-methyloxolan-3-ol;(2S,3R,4S,5R)-4-[(2,4-dichlorophenyl)methoxy]-5-[(2,4-dichlorophenyl)methoxymethyl]-2-methoxyoxolan-3-ol;(2S,4R,5R)-4-[(2,4-dichlorophenyl)methoxy]-5-[(2,4-dichlorophenyl)methoxymethyl]-2-methoxyoxolan-3-one;(2R,3S,4R,5S)-2-(hydroxymethyl)-5-methoxyoxolane-3,4-diol;(2S,3R,4S,5R)-5-(hydroxymethyl)oxolane-2,3,4-triol

C99H106Cl18O30 — CID 157096899

IUPAC(2R,3R,4R,5S)-3,4-bis[(2,4-dichlorophenyl)methoxy]-2-[(2,4-dichlorophenyl)methoxymethyl]-5-methoxyoxolane;(2S,3S,4R,5R)-4-[(2,4-dichlorophenyl)methoxy]-5-[(2,4-dichlorophenyl)methoxymethyl]-2-methoxy-3-methyloxolan-3-ol;(2S,3R,4S,5R)-4-[(2,4-dichlorophenyl)methoxy]-5-[(2,4-dichlorophenyl)methoxymethyl]-2-methoxyoxolan-3-ol;(2S,4R,5R)-4-[(2,4-dichlorophenyl)methoxy]-5-[(2,4-dichlorophenyl)methoxymethyl]-2-methoxyoxolan-3-one;(2R,3S,4R,5S)-2-(hydroxymethyl)-5-methoxyoxolane-3,4-diol;(2S,3R,4S,5R)-5-(hydroxymethyl)oxolane-2,3,4-triol
SMILESCO[C@H]1O[C@H](CO)[C@@H](O)[C@H]1O.CO[C@H]1O[C@H](COCc2ccc(Cl)cc2Cl)[C@@H](OCc2ccc(Cl)cc2Cl)C1=O.CO[C@H]1O[C@H](COCc2ccc(Cl)cc2Cl)[C@@H](OCc2ccc(Cl)cc2Cl)[C@H]1O.CO[C@H]1O[C@H](COCc2ccc(Cl)cc2Cl)[C@@H](OCc2ccc(Cl)cc2Cl)[C@H]1OCc1ccc(Cl)cc1Cl.CO[C@H]1O[C@H](COCc2ccc(Cl)cc2Cl)[C@@H](OCc2ccc(Cl)cc2Cl)[C@]1(C)O.OC[C@H]1O[C@H](O)[C@H](O)[C@@H]1O
InChIInChI=1S/C27H24Cl6O5.C21H22Cl4O5.C20H20Cl4O5.C20H18Cl4O5.C6H12O5.C5H10O5/c1-34-27-26(37-13-17-4-7-20(30)10-23(17)33)25(36-12-16-3-6-19(29)9-22(16)32)24(38-27)14-35-11-15-2-5-18(28)8-21(15)31;1-21(26)19(29-10-13-4-6-15(23)8-17(13)25)18(30-20(21)27-2)11-28-9-12-3-5-14(22)7-16(12)24;2*1-26-20-18(25)19(28-9-12-3-5-14(22)7-16(12)24)17(29-20)10-27-8-11-2-4-13(21)6-15(11)23;1-10-6-5(9)4(8)3(2-7)11-6;6-1-2-3(7)4(8)5(9)10-2/h2-10,24-27H,11-14H2,1H3;3-8,18-20,26H,9-11H2,1-2H3;2-7,17-20,25H,8-10H2,1H3;2-7,17,19-20H,8-10H2,1H3;3-9H,2H2,1H3;2-9H,1H2/t24-,25-,26-,27+;18-,19-,20+,21+;17-,18-,19-,20+;17-,19-,20+;3-,4-,5-,6+;2-,3-,4-,5+/m111111/s1
InChIKeyAFHUOGQIIDAEGR-RHECULGISA-N
MW2414.06 g/mol
LogP20.16
Rot. Bonds38

About (2R,3R,4R,5S)-3,4-bis[(2,4-dichlorophenyl)methoxy]-2-[(2,4-dichlorophenyl)methoxymethyl]-5-methoxyoxolane;(2S,3S,4R,5R)-4-[(2,4-dichlorophenyl)methoxy]-5-[(2,4-dichlorophenyl)methoxymethyl]-2-methoxy-3-methyloxolan-3-ol;(2S,3R,4S,5R)-4-[(2,4-dichlorophenyl)methoxy]-5-[(2,4-dichlorophenyl)methoxymethyl]-2-methoxyoxolan-3-ol;(2S,4R,5R)-4-[(2,4-dichlorophenyl)methoxy]-5-[(2,4-dichlorophenyl)methoxymethyl]-2-methoxyoxolan-3-one;(2R,3S,4R,5S)-2-(hydroxymethyl)-5-methoxyoxolane-3,4-diol;(2S,3R,4S,5R)-5-(hydroxymethyl)oxolane-2,3,4-triol

(2R,3R,4R,5S)-3,4-bis[(2,4-dichlorophenyl)methoxy]-2-[(2,4-dichlorophenyl)methoxymethyl]-5-methoxyoxolane;(2S,3S,4R,5R)-4-[(2,4-dichlorophenyl)methoxy]-5-[(2,4-dichlorophenyl)methoxymethyl]-2-methoxy-3-methyloxolan-3-ol;(2S,3R,4S,5R)-4-[(2,4-dichlorophenyl)methoxy]-5-[(2,4-dichlorophenyl)methoxymethyl]-2-methoxyoxolan-3-ol;(2S,4R,5R)-4-[(2,4-dichlorophenyl)methoxy]-5-[(2,4-dichlorophenyl)methoxymethyl]-2-methoxyoxolan-3-one;(2R,3S,4R,5S)-2-(hydroxymethyl)-5-methoxyoxolane-3,4-diol;(2S,3R,4S,5R)-5-(hydroxymethyl)oxolane-2,3,4-triol (PubChem CID 157096899) has the molecular formula C99H106Cl18O30 and a molecular weight of 2414.06 g/mol. Its IUPAC name is (2R,3R,4R,5S)-3,4-bis[(2,4-dichlorophenyl)methoxy]-2-[(2,4-dichlorophenyl)methoxymethyl]-5-methoxyoxolane;(2S,3S,4R,5R)-4-[(2,4-dichlorophenyl)methoxy]-5-[(2,4-dichlorophenyl)methoxymethyl]-2-methoxy-3-methyloxolan-3-ol;(2S,3R,4S,5R)-4-[(2,4-dichlorophenyl)methoxy]-5-[(2,4-dichlorophenyl)methoxymethyl]-2-methoxyoxolan-3-ol;(2S,4R,5R)-4-[(2,4-dichlorophenyl)methoxy]-5-[(2,4-dichlorophenyl)methoxymethyl]-2-methoxyoxolan-3-one;(2R,3S,4R,5S)-2-(hydroxymethyl)-5-methoxyoxolane-3,4-diol;(2S,3R,4S,5R)-5-(hydroxymethyl)oxolane-2,3,4-triol.

Molecular Properties

Compound Name(2R,3R,4R,5S)-3,4-bis[(2,4-dichlorophenyl)methoxy]-2-[(2,4-dichlorophenyl)methoxymethyl]-5-methoxyoxolane;(2S,3S,4R,5R)-4-[(2,4-dichlorophenyl)methoxy]-5-[(2,4-dichlorophenyl)methoxymethyl]-2-methoxy-3-methyloxolan-3-ol;(2S,3R,4S,5R)-4-[(2,4-dichlorophenyl)methoxy]-5-[(2,4-dichlorophenyl)methoxymethyl]-2-methoxyoxolan-3-ol;(2S,4R,5R)-4-[(2,4-dichlorophenyl)methoxy]-5-[(2,4-dichlorophenyl)methoxymethyl]-2-methoxyoxolan-3-one;(2R,3S,4R,5S)-2-(hydroxymethyl)-5-methoxyoxolane-3,4-diol;(2S,3R,4S,5R)-5-(hydroxymethyl)oxolane-2,3,4-triol
PubChem CID157096899
Molecular FormulaC99H106Cl18O30
Molecular Weight2414.06 g/mol
Exact Mass2404.12
IUPAC Name(2R,3R,4R,5S)-3,4-bis[(2,4-dichlorophenyl)methoxy]-2-[(2,4-dichlorophenyl)methoxymethyl]-5-methoxyoxolane;(2S,3S,4R,5R)-4-[(2,4-dichlorophenyl)methoxy]-5-[(2,4-dichlorophenyl)methoxymethyl]-2-methoxy-3-methyloxolan-3-ol;(2S,3R,4S,5R)-4-[(2,4-dichlorophenyl)methoxy]-5-[(2,4-dichlorophenyl)methoxymethyl]-2-methoxyoxolan-3-ol;(2S,4R,5R)-4-[(2,4-dichlorophenyl)methoxy]-5-[(2,4-dichlorophenyl)methoxymethyl]-2-methoxyoxolan-3-one;(2R,3S,4R,5S)-2-(hydroxymethyl)-5-methoxyoxolane-3,4-diol;(2S,3R,4S,5R)-5-(hydroxymethyl)oxolane-2,3,4-triol
SMILESCO[C@H]1O[C@H](CO)[C@@H](O)[C@H]1O.CO[C@H]1O[C@H](COCc2ccc(Cl)cc2Cl)[C@@H](OCc2ccc(Cl)cc2Cl)C1=O.CO[C@H]1O[C@H](COCc2ccc(Cl)cc2Cl)[C@@H](OCc2ccc(Cl)cc2Cl)[C@H]1O.CO[C@H]1O[C@H](COCc2ccc(Cl)cc2Cl)[C@@H](OCc2ccc(Cl)cc2Cl)[C@H]1OCc1ccc(Cl)cc1Cl.CO[C@H]1O[C@H](COCc2ccc(Cl)cc2Cl)[C@@H](OCc2ccc(Cl)cc2Cl)[C@]1(C)O.OC[C@H]1O[C@H](O)[C@H](O)[C@@H]1O
InChIInChI=1S/C27H24Cl6O5.C21H22Cl4O5.C20H20Cl4O5.C20H18Cl4O5.C6H12O5.C5H10O5/c1-34-27-26(37-13-17-4-7-20(30)10-23(17)33)25(36-12-16-3-6-19(29)9-22(16)32)24(38-27)14-35-11-15-2-5-18(28)8-21(15)31;1-21(26)19(29-10-13-4-6-15(23)8-17(13)25)18(30-20(21)27-2)11-28-9-12-3-5-14(22)7-16(12)24;2*1-26-20-18(25)19(28-9-12-3-5-14(22)7-16(12)24)17(29-20)10-27-8-11-2-4-13(21)6-15(11)23;1-10-6-5(9)4(8)3(2-7)11-6;6-1-2-3(7)4(8)5(9)10-2/h2-10,24-27H,11-14H2,1H3;3-8,18-20,26H,9-11H2,1-2H3;2-7,17-20,25H,8-10H2,1H3;2-7,17,19-20H,8-10H2,1H3;3-9H,2H2,1H3;2-9H,1H2/t24-,25-,26-,27+;18-,19-,20+,21+;17-,18-,19-,20+;17-,19-,20+;3-,4-,5-,6+;2-,3-,4-,5+/m111111/s1
InChIKeyAFHUOGQIIDAEGR-RHECULGISA-N
XLogP20.16
TPSA383.74 Ų
H-Bond Donors9
H-Bond Acceptors30
Rotatable Bonds38
Heavy Atoms147
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002414.06
LogP ≤ 520.16
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1030

Analyze (2R,3R,4R,5S)-3,4-bis[(2,4-dichlorophenyl)methoxy]-2-[(2,4-dichlorophenyl)methoxymethyl]-5-methoxyoxolane;(2S,3S,4R,5R)-4-[(2,4-dichlorophenyl)methoxy]-5-[(2,4-dichlorophenyl)methoxymethyl]-2-methoxy-3-methyloxolan-3-ol;(2S,3R,4S,5R)-4-[(2,4-dichlorophenyl)methoxy]-5-[(2,4-dichlorophenyl)methoxymethyl]-2-methoxyoxolan-3-ol;(2S,4R,5R)-4-[(2,4-dichlorophenyl)methoxy]-5-[(2,4-dichlorophenyl)methoxymethyl]-2-methoxyoxolan-3-one;(2R,3S,4R,5S)-2-(hydroxymethyl)-5-methoxyoxolane-3,4-diol;(2S,3R,4S,5R)-5-(hydroxymethyl)oxolane-2,3,4-triol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5S)-3,4-bis[(2,4-dichlorophenyl)methoxy]-2-[(2,4-dichlorophenyl)methoxymethyl]-5-methoxyoxolane;(2S,3S,4R,5R)-4-[(2,4-dichlorophenyl)methoxy]-5-[(2,4-dichlorophenyl)methoxymethyl]-2-methoxy-3-methyloxolan-3-ol;(2S,3R,4S,5R)-4-[(2,4-dichlorophenyl)methoxy]-5-[(2,4-dichlorophenyl)methoxymethyl]-2-methoxyoxolan-3-ol;(2S,4R,5R)-4-[(2,4-dichlorophenyl)methoxy]-5-[(2,4-dichlorophenyl)methoxymethyl]-2-methoxyoxolan-3-one;(2R,3S,4R,5S)-2-(hydroxymethyl)-5-methoxyoxolane-3,4-diol;(2S,3R,4S,5R)-5-(hydroxymethyl)oxolane-2,3,4-triol?
The IUPAC name of (2R,3R,4R,5S)-3,4-bis[(2,4-dichlorophenyl)methoxy]-2-[(2,4-dichlorophenyl)methoxymethyl]-5-methoxyoxolane;(2S,3S,4R,5R)-4-[(2,4-dichlorophenyl)methoxy]-5-[(2,4-dichlorophenyl)methoxymethyl]-2-methoxy-3-methyloxolan-3-ol;(2S,3R,4S,5R)-4-[(2,4-dichlorophenyl)methoxy]-5-[(2,4-dichlorophenyl)methoxymethyl]-2-methoxyoxolan-3-ol;(2S,4R,5R)-4-[(2,4-dichlorophenyl)methoxy]-5-[(2,4-dichlorophenyl)methoxymethyl]-2-methoxyoxolan-3-one;(2R,3S,4R,5S)-2-(hydroxymethyl)-5-methoxyoxolane-3,4-diol;(2S,3R,4S,5R)-5-(hydroxymethyl)oxolane-2,3,4-triol (CID 157096899) is (2R,3R,4R,5S)-3,4-bis[(2,4-dichlorophenyl)methoxy]-2-[(2,4-dichlorophenyl)methoxymethyl]-5-methoxyoxolane;(2S,3S,4R,5R)-4-[(2,4-dichlorophenyl)methoxy]-5-[(2,4-dichlorophenyl)methoxymethyl]-2-methoxy-3-methyloxolan-3-ol;(2S,3R,4S,5R)-4-[(2,4-dichlorophenyl)methoxy]-5-[(2,4-dichlorophenyl)methoxymethyl]-2-methoxyoxolan-3-ol;(2S,4R,5R)-4-[(2,4-dichlorophenyl)methoxy]-5-[(2,4-dichlorophenyl)methoxymethyl]-2-methoxyoxolan-3-one;(2R,3S,4R,5S)-2-(hydroxymethyl)-5-methoxyoxolane-3,4-diol;(2S,3R,4S,5R)-5-(hydroxymethyl)oxolane-2,3,4-triol.
What is the SMILES notation for (2R,3R,4R,5S)-3,4-bis[(2,4-dichlorophenyl)methoxy]-2-[(2,4-dichlorophenyl)methoxymethyl]-5-methoxyoxolane;(2S,3S,4R,5R)-4-[(2,4-dichlorophenyl)methoxy]-5-[(2,4-dichlorophenyl)methoxymethyl]-2-methoxy-3-methyloxolan-3-ol;(2S,3R,4S,5R)-4-[(2,4-dichlorophenyl)methoxy]-5-[(2,4-dichlorophenyl)methoxymethyl]-2-methoxyoxolan-3-ol;(2S,4R,5R)-4-[(2,4-dichlorophenyl)methoxy]-5-[(2,4-dichlorophenyl)methoxymethyl]-2-methoxyoxolan-3-one;(2R,3S,4R,5S)-2-(hydroxymethyl)-5-methoxyoxolane-3,4-diol;(2S,3R,4S,5R)-5-(hydroxymethyl)oxolane-2,3,4-triol?
The canonical SMILES for (2R,3R,4R,5S)-3,4-bis[(2,4-dichlorophenyl)methoxy]-2-[(2,4-dichlorophenyl)methoxymethyl]-5-methoxyoxolane;(2S,3S,4R,5R)-4-[(2,4-dichlorophenyl)methoxy]-5-[(2,4-dichlorophenyl)methoxymethyl]-2-methoxy-3-methyloxolan-3-ol;(2S,3R,4S,5R)-4-[(2,4-dichlorophenyl)methoxy]-5-[(2,4-dichlorophenyl)methoxymethyl]-2-methoxyoxolan-3-ol;(2S,4R,5R)-4-[(2,4-dichlorophenyl)methoxy]-5-[(2,4-dichlorophenyl)methoxymethyl]-2-methoxyoxolan-3-one;(2R,3S,4R,5S)-2-(hydroxymethyl)-5-methoxyoxolane-3,4-diol;(2S,3R,4S,5R)-5-(hydroxymethyl)oxolane-2,3,4-triol is CO[C@H]1O[C@H](CO)[C@@H](O)[C@H]1O.CO[C@H]1O[C@H](COCc2ccc(Cl)cc2Cl)[C@@H](OCc2ccc(Cl)cc2Cl)C1=O.CO[C@H]1O[C@H](COCc2ccc(Cl)cc2Cl)[C@@H](OCc2ccc(Cl)cc2Cl)[C@H]1O.CO[C@H]1O[C@H](COCc2ccc(Cl)cc2Cl)[C@@H](OCc2ccc(Cl)cc2Cl)[C@H]1OCc1ccc(Cl)cc1Cl.CO[C@H]1O[C@H](COCc2ccc(Cl)cc2Cl)[C@@H](OCc2ccc(Cl)cc2Cl)[C@]1(C)O.OC[C@H]1O[C@H](O)[C@H](O)[C@@H]1O.
What is the InChIKey of (2R,3R,4R,5S)-3,4-bis[(2,4-dichlorophenyl)methoxy]-2-[(2,4-dichlorophenyl)methoxymethyl]-5-methoxyoxolane;(2S,3S,4R,5R)-4-[(2,4-dichlorophenyl)methoxy]-5-[(2,4-dichlorophenyl)methoxymethyl]-2-methoxy-3-methyloxolan-3-ol;(2S,3R,4S,5R)-4-[(2,4-dichlorophenyl)methoxy]-5-[(2,4-dichlorophenyl)methoxymethyl]-2-methoxyoxolan-3-ol;(2S,4R,5R)-4-[(2,4-dichlorophenyl)methoxy]-5-[(2,4-dichlorophenyl)methoxymethyl]-2-methoxyoxolan-3-one;(2R,3S,4R,5S)-2-(hydroxymethyl)-5-methoxyoxolane-3,4-diol;(2S,3R,4S,5R)-5-(hydroxymethyl)oxolane-2,3,4-triol?
The InChIKey is AFHUOGQIIDAEGR-RHECULGISA-N. The full InChI is InChI=1S/C27H24Cl6O5.C21H22Cl4O5.C20H20Cl4O5.C20H18Cl4O5.C6H12O5.C5H10O5/c1-34-27-26(37-13-17-4-7-20(30)10-23(17)33)25(36-12-16-3-6-19(29)9-22(16)32)24(38-27)14-35-11-15-2-5-18(28)8-21(15)31;1-21(26)19(29-10-13-4-6-15(23)8-17(13)25)18(30-20(21)27-2)11-28-9-12-3-5-14(22)7-16(12)24;2*1-26-20-18(25)19(28-9-12-3-5-14(22)7-16(12)24)17(29-20)10-27-8-11-2-4-13(21)6-15(11)23;1-10-6-5(9)4(8)3(2-7)11-6;6-1-2-3(7)4(8)5(9)10-2/h2-10,24-27H,11-14H2,1H3;3-8,18-20,26H,9-11H2,1-2H3;2-7,17-20,25H,8-10H2,1H3;2-7,17,19-20H,8-10H2,1H3;3-9H,2H2,1H3;2-9H,1H2/t24-,25-,26-,27+;18-,19-,20+,21+;17-,18-,19-,20+;17-,19-,20+;3-,4-,5-,6+;2-,3-,4-,5+/m111111/s1.
What are the key properties of (2R,3R,4R,5S)-3,4-bis[(2,4-dichlorophenyl)methoxy]-2-[(2,4-dichlorophenyl)methoxymethyl]-5-methoxyoxolane;(2S,3S,4R,5R)-4-[(2,4-dichlorophenyl)methoxy]-5-[(2,4-dichlorophenyl)methoxymethyl]-2-methoxy-3-methyloxolan-3-ol;(2S,3R,4S,5R)-4-[(2,4-dichlorophenyl)methoxy]-5-[(2,4-dichlorophenyl)methoxymethyl]-2-methoxyoxolan-3-ol;(2S,4R,5R)-4-[(2,4-dichlorophenyl)methoxy]-5-[(2,4-dichlorophenyl)methoxymethyl]-2-methoxyoxolan-3-one;(2R,3S,4R,5S)-2-(hydroxymethyl)-5-methoxyoxolane-3,4-diol;(2S,3R,4S,5R)-5-(hydroxymethyl)oxolane-2,3,4-triol?
(2R,3R,4R,5S)-3,4-bis[(2,4-dichlorophenyl)methoxy]-2-[(2,4-dichlorophenyl)methoxymethyl]-5-methoxyoxolane;(2S,3S,4R,5R)-4-[(2,4-dichlorophenyl)methoxy]-5-[(2,4-dichlorophenyl)methoxymethyl]-2-methoxy-3-methyloxolan-3-ol;(2S,3R,4S,5R)-4-[(2,4-dichlorophenyl)methoxy]-5-[(2,4-dichlorophenyl)methoxymethyl]-2-methoxyoxolan-3-ol;(2S,4R,5R)-4-[(2,4-dichlorophenyl)methoxy]-5-[(2,4-dichlorophenyl)methoxymethyl]-2-methoxyoxolan-3-one;(2R,3S,4R,5S)-2-(hydroxymethyl)-5-methoxyoxolane-3,4-diol;(2S,3R,4S,5R)-5-(hydroxymethyl)oxolane-2,3,4-triol has a molecular weight of 2414.06 g/mol, XLogP of 20.16, 38 rotatable bonds, 9 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5S)-3,4-bis[(2,4-dichlorophenyl)methoxy]-2-[(2,4-dichlorophenyl)methoxymethyl]-5-methoxyoxolane;(2S,3S,4R,5R)-4-[(2,4-dichlorophenyl)methoxy]-5-[(2,4-dichlorophenyl)methoxymethyl]-2-methoxy-3-methyloxolan-3-ol;(2S,3R,4S,5R)-4-[(2,4-dichlorophenyl)methoxy]-5-[(2,4-dichlorophenyl)methoxymethyl]-2-methoxyoxolan-3-ol;(2S,4R,5R)-4-[(2,4-dichlorophenyl)methoxy]-5-[(2,4-dichlorophenyl)methoxymethyl]-2-methoxyoxolan-3-one;(2R,3S,4R,5S)-2-(hydroxymethyl)-5-methoxyoxolane-3,4-diol;(2S,3R,4S,5R)-5-(hydroxymethyl)oxolane-2,3,4-triol is sourced from PubChem (CID 157096899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).