(2S,3S,4R,5R)-2-[(1S)-1-[(2R,3S,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]oxy-2-methoxyethyl]-3,4-dimethoxy-5-octoxyoxolane

C43H60O10 — CID 25085918

IUPAC(2S,3S,4R,5R)-2-[(1S)-1-[(2R,3S,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]oxy-2-methoxyethyl]-3,4-dimethoxy-5-octoxyoxolane
SMILESCCCCCCCCO[C@@H]1O[C@@H]([C@H](COC)O[C@H]2O[C@H](COCc3ccccc3)[C@@H](OCc3ccccc3)[C@@H]2OCc2ccccc2)[C@H](OC)[C@H]1OC
InChIInChI=1S/C43H60O10/c1-5-6-7-8-9-19-26-48-42-40(46-4)39(45-3)38(53-42)35(30-44-2)51-43-41(50-29-34-24-17-12-18-25-34)37(49-28-33-22-15-11-16-23-33)36(52-43)31-47-27-32-20-13-10-14-21-32/h10-18,20-25,35-43H,5-9,19,26-31H2,1-4H3/t35-,36+,37+,38-,39-,40+,41-,42+,43-/m0/s1
InChIKeyJGLCIFYNSSMKRI-OLOGHWMOSA-N
MW736.94 g/mol
LogP7.26
Rot. Bonds25

About (2S,3S,4R,5R)-2-[(1S)-1-[(2R,3S,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]oxy-2-methoxyethyl]-3,4-dimethoxy-5-octoxyoxolane

(2S,3S,4R,5R)-2-[(1S)-1-[(2R,3S,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]oxy-2-methoxyethyl]-3,4-dimethoxy-5-octoxyoxolane (PubChem CID 25085918) has the molecular formula C43H60O10 and a molecular weight of 736.94 g/mol. Its IUPAC name is (2S,3S,4R,5R)-2-[(1S)-1-[(2R,3S,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]oxy-2-methoxyethyl]-3,4-dimethoxy-5-octoxyoxolane.

Molecular Properties

Compound Name(2S,3S,4R,5R)-2-[(1S)-1-[(2R,3S,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]oxy-2-methoxyethyl]-3,4-dimethoxy-5-octoxyoxolane
PubChem CID25085918
Molecular FormulaC43H60O10
Molecular Weight736.94 g/mol
Exact Mass736.42
IUPAC Name(2S,3S,4R,5R)-2-[(1S)-1-[(2R,3S,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]oxy-2-methoxyethyl]-3,4-dimethoxy-5-octoxyoxolane
SMILESCCCCCCCCO[C@@H]1O[C@@H]([C@H](COC)O[C@H]2O[C@H](COCc3ccccc3)[C@@H](OCc3ccccc3)[C@@H]2OCc2ccccc2)[C@H](OC)[C@H]1OC
InChIInChI=1S/C43H60O10/c1-5-6-7-8-9-19-26-48-42-40(46-4)39(45-3)38(53-42)35(30-44-2)51-43-41(50-29-34-24-17-12-18-25-34)37(49-28-33-22-15-11-16-23-33)36(52-43)31-47-27-32-20-13-10-14-21-32/h10-18,20-25,35-43H,5-9,19,26-31H2,1-4H3/t35-,36+,37+,38-,39-,40+,41-,42+,43-/m0/s1
InChIKeyJGLCIFYNSSMKRI-OLOGHWMOSA-N
XLogP7.26
TPSA92.30 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds25
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500736.94
LogP ≤ 57.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (2S,3S,4R,5R)-2-[(1S)-1-[(2R,3S,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]oxy-2-methoxyethyl]-3,4-dimethoxy-5-octoxyoxolane with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2S,3S,4R,5R)-2-[(1S)-1-[(2R,3S,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]oxy-2-methoxyethyl]-3,4-dimethoxy-5-octoxyoxolane?
The IUPAC name of (2S,3S,4R,5R)-2-[(1S)-1-[(2R,3S,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]oxy-2-methoxyethyl]-3,4-dimethoxy-5-octoxyoxolane (CID 25085918) is (2S,3S,4R,5R)-2-[(1S)-1-[(2R,3S,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]oxy-2-methoxyethyl]-3,4-dimethoxy-5-octoxyoxolane.
What is the SMILES notation for (2S,3S,4R,5R)-2-[(1S)-1-[(2R,3S,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]oxy-2-methoxyethyl]-3,4-dimethoxy-5-octoxyoxolane?
The canonical SMILES for (2S,3S,4R,5R)-2-[(1S)-1-[(2R,3S,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]oxy-2-methoxyethyl]-3,4-dimethoxy-5-octoxyoxolane is CCCCCCCCO[C@@H]1O[C@@H]([C@H](COC)O[C@H]2O[C@H](COCc3ccccc3)[C@@H](OCc3ccccc3)[C@@H]2OCc2ccccc2)[C@H](OC)[C@H]1OC.
What is the InChIKey of (2S,3S,4R,5R)-2-[(1S)-1-[(2R,3S,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]oxy-2-methoxyethyl]-3,4-dimethoxy-5-octoxyoxolane?
The InChIKey is JGLCIFYNSSMKRI-OLOGHWMOSA-N. The full InChI is InChI=1S/C43H60O10/c1-5-6-7-8-9-19-26-48-42-40(46-4)39(45-3)38(53-42)35(30-44-2)51-43-41(50-29-34-24-17-12-18-25-34)37(49-28-33-22-15-11-16-23-33)36(52-43)31-47-27-32-20-13-10-14-21-32/h10-18,20-25,35-43H,5-9,19,26-31H2,1-4H3/t35-,36+,37+,38-,39-,40+,41-,42+,43-/m0/s1.
What are the key properties of (2S,3S,4R,5R)-2-[(1S)-1-[(2R,3S,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]oxy-2-methoxyethyl]-3,4-dimethoxy-5-octoxyoxolane?
(2S,3S,4R,5R)-2-[(1S)-1-[(2R,3S,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]oxy-2-methoxyethyl]-3,4-dimethoxy-5-octoxyoxolane has a molecular weight of 736.94 g/mol, XLogP of 7.26, 25 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4R,5R)-2-[(1S)-1-[(2R,3S,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]oxy-2-methoxyethyl]-3,4-dimethoxy-5-octoxyoxolane is sourced from PubChem (CID 25085918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).