(2R,3R,4R,5R)-5-[(1R)-1,2-bis[(4-chlorophenyl)methoxy]ethyl]-2-ethoxy-4-propoxyoxolan-3-ol

C25H32Cl2O6 — CID 76967111

IUPAC(2R,3R,4R,5R)-5-[(1R)-1,2-bis[(4-chlorophenyl)methoxy]ethyl]-2-ethoxy-4-propoxyoxolan-3-ol
SMILESCCCO[C@@H]1[C@@H](O)[C@H](OCC)O[C@@H]1[C@@H](COCc1ccc(Cl)cc1)OCc1ccc(Cl)cc1
InChIInChI=1S/C25H32Cl2O6/c1-3-13-31-24-22(28)25(30-4-2)33-23(24)21(32-15-18-7-11-20(27)12-8-18)16-29-14-17-5-9-19(26)10-6-17/h5-12,21-25,28H,3-4,13-16H2,1-2H3/t21-,22-,23-,24-,25-/m1/s1
InChIKeyUOYOWSGCMGEQHC-FXEFVXDJSA-N
MW499.43 g/mol
LogP5.01
Rot. Bonds13

About (2R,3R,4R,5R)-5-[(1R)-1,2-bis[(4-chlorophenyl)methoxy]ethyl]-2-ethoxy-4-propoxyoxolan-3-ol

(2R,3R,4R,5R)-5-[(1R)-1,2-bis[(4-chlorophenyl)methoxy]ethyl]-2-ethoxy-4-propoxyoxolan-3-ol (PubChem CID 76967111) has the molecular formula C25H32Cl2O6 and a molecular weight of 499.43 g/mol. Its IUPAC name is (2R,3R,4R,5R)-5-[(1R)-1,2-bis[(4-chlorophenyl)methoxy]ethyl]-2-ethoxy-4-propoxyoxolan-3-ol.

Molecular Properties

Compound Name(2R,3R,4R,5R)-5-[(1R)-1,2-bis[(4-chlorophenyl)methoxy]ethyl]-2-ethoxy-4-propoxyoxolan-3-ol
PubChem CID76967111
Molecular FormulaC25H32Cl2O6
Molecular Weight499.43 g/mol
Exact Mass498.16
IUPAC Name(2R,3R,4R,5R)-5-[(1R)-1,2-bis[(4-chlorophenyl)methoxy]ethyl]-2-ethoxy-4-propoxyoxolan-3-ol
SMILESCCCO[C@@H]1[C@@H](O)[C@H](OCC)O[C@@H]1[C@@H](COCc1ccc(Cl)cc1)OCc1ccc(Cl)cc1
InChIInChI=1S/C25H32Cl2O6/c1-3-13-31-24-22(28)25(30-4-2)33-23(24)21(32-15-18-7-11-20(27)12-8-18)16-29-14-17-5-9-19(26)10-6-17/h5-12,21-25,28H,3-4,13-16H2,1-2H3/t21-,22-,23-,24-,25-/m1/s1
InChIKeyUOYOWSGCMGEQHC-FXEFVXDJSA-N
XLogP5.01
TPSA66.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.43
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2S,3S,4S,5S)-5-[1,2-bis[(4-chlorophenyl)methoxy]ethyl]-2-ethoxy-4-propoxyoxolan-3-ol
CID 6917800
(2S,3R,4R,5R)-5-[(1R)-1,2-bis(phenylmethoxy)ethyl]-2,4-bis(phenylmethoxy)oxolan-3-ol
CID 102374527
(2R,3R,4R,5R)-5-[(1R)-1,2-bis(phenylmethoxy)ethyl]-2-methoxy-4-phenylmethoxyoxolan-3-ol
CID 15613132
(3R,4R,5R)-5-[(1R)-1,2-bis(phenylmethoxy)ethyl]-2-(1,1,2,2,2-pentadeuterioethoxy)-4-phenylmethoxyoxolan-3-ol
CID 169447574
diethyl (E)-3-[(2S,3R,4R,5R)-5-[(1R)-1,2-bis(phenylmethoxy)ethyl]-3-hydroxy-4-phenylmethoxyoxolan-2-yl]oxypent-2-enedioate
CID 102088502
[2-[(2S,3S,4S)-5-ethoxy-4-hydroxy-3-propoxyoxolan-2-yl]-2-(2-hydroxybenzoyl)oxyethyl] 2-hydroxybenzoate
CID 70685106
[(2R)-2-[(2R,3R,4R)-5-ethoxy-4-hydroxy-3-propoxyoxolan-2-yl]-2-(2-hydroxybenzoyl)oxyethyl] 2-hydroxybenzoate
CID 3058744
(2R,3S,4S,5S,6S)-2-[(1R)-1,2-bis(phenylmethoxy)ethyl]-6-methoxy-5-[(4-methoxyphenyl)methoxy]-3,4-bis(phenylmethoxy)oxane
CID 101344107
(2S,3R,4R,5R)-5-[(1R)-2-azido-1-methoxyethyl]-2-ethoxy-4-phenylmethoxyoxolan-3-ol
CID 22816407
[(2R,3S,4S,5R,6R)-2-acetyloxy-6-[(1S)-1,2-bis(phenylmethoxy)ethyl]-3,5-bis(phenylmethoxy)oxan-4-yl] 4-oxopentanoate
CID 10865423
(3aR,5R,6S,6aR)-5-[(1R)-1,2-bis[(4-methoxyphenyl)methoxy]ethyl]-6-[(4-methoxyphenyl)methoxy]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole
CID 100990462
(3R,4R,5R)-5-[(1R)-1-azido-2-phenylmethoxyethyl]-2-methoxy-4-phenylmethoxyoxolan-3-ol
CID 54148299

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5R)-5-[(1R)-1,2-bis[(4-chlorophenyl)methoxy]ethyl]-2-ethoxy-4-propoxyoxolan-3-ol?
The IUPAC name of (2R,3R,4R,5R)-5-[(1R)-1,2-bis[(4-chlorophenyl)methoxy]ethyl]-2-ethoxy-4-propoxyoxolan-3-ol (CID 76967111) is (2R,3R,4R,5R)-5-[(1R)-1,2-bis[(4-chlorophenyl)methoxy]ethyl]-2-ethoxy-4-propoxyoxolan-3-ol.
What is the SMILES notation for (2R,3R,4R,5R)-5-[(1R)-1,2-bis[(4-chlorophenyl)methoxy]ethyl]-2-ethoxy-4-propoxyoxolan-3-ol?
The canonical SMILES for (2R,3R,4R,5R)-5-[(1R)-1,2-bis[(4-chlorophenyl)methoxy]ethyl]-2-ethoxy-4-propoxyoxolan-3-ol is CCCO[C@@H]1[C@@H](O)[C@H](OCC)O[C@@H]1[C@@H](COCc1ccc(Cl)cc1)OCc1ccc(Cl)cc1.
What is the InChIKey of (2R,3R,4R,5R)-5-[(1R)-1,2-bis[(4-chlorophenyl)methoxy]ethyl]-2-ethoxy-4-propoxyoxolan-3-ol?
The InChIKey is UOYOWSGCMGEQHC-FXEFVXDJSA-N. The full InChI is InChI=1S/C25H32Cl2O6/c1-3-13-31-24-22(28)25(30-4-2)33-23(24)21(32-15-18-7-11-20(27)12-8-18)16-29-14-17-5-9-19(26)10-6-17/h5-12,21-25,28H,3-4,13-16H2,1-2H3/t21-,22-,23-,24-,25-/m1/s1.
What are the key properties of (2R,3R,4R,5R)-5-[(1R)-1,2-bis[(4-chlorophenyl)methoxy]ethyl]-2-ethoxy-4-propoxyoxolan-3-ol?
(2R,3R,4R,5R)-5-[(1R)-1,2-bis[(4-chlorophenyl)methoxy]ethyl]-2-ethoxy-4-propoxyoxolan-3-ol has a molecular weight of 499.43 g/mol, XLogP of 5.01, 13 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5R)-5-[(1R)-1,2-bis[(4-chlorophenyl)methoxy]ethyl]-2-ethoxy-4-propoxyoxolan-3-ol is sourced from PubChem (CID 76967111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).