(2R,5R)-2-(3-methoxy-5-methylsulfonyl-4-prop-2-enoxyphenyl)-5-(3,4,5-trimethoxyphenyl)oxolane

C24H30O8S — CID 67936629

IUPAC(2R,5R)-2-(3-methoxy-5-methylsulfonyl-4-prop-2-enoxyphenyl)-5-(3,4,5-trimethoxyphenyl)oxolane
SMILESC=CCOc1c(OC)cc([C@H]2CC[C@H](c3cc(OC)c(OC)c(OC)c3)O2)cc1S(C)(=O)=O
InChIInChI=1S/C24H30O8S/c1-7-10-31-24-21(29-4)13-16(14-22(24)33(6,25)26)18-9-8-17(32-18)15-11-19(27-2)23(30-5)20(12-15)28-3/h7,11-14,17-18H,1,8-10H2,2-6H3/t17-,18-/m1/s1
InChIKeyREMDSLLTXBGZTM-QZTJIDSGSA-N
MW478.56 g/mol
LogP4.28
Rot. Bonds10

About (2R,5R)-2-(3-methoxy-5-methylsulfonyl-4-prop-2-enoxyphenyl)-5-(3,4,5-trimethoxyphenyl)oxolane

(2R,5R)-2-(3-methoxy-5-methylsulfonyl-4-prop-2-enoxyphenyl)-5-(3,4,5-trimethoxyphenyl)oxolane (PubChem CID 67936629) has the molecular formula C24H30O8S and a molecular weight of 478.56 g/mol. Its IUPAC name is (2R,5R)-2-(3-methoxy-5-methylsulfonyl-4-prop-2-enoxyphenyl)-5-(3,4,5-trimethoxyphenyl)oxolane.

Molecular Properties

Compound Name(2R,5R)-2-(3-methoxy-5-methylsulfonyl-4-prop-2-enoxyphenyl)-5-(3,4,5-trimethoxyphenyl)oxolane
PubChem CID67936629
Molecular FormulaC24H30O8S
Molecular Weight478.56 g/mol
Exact Mass478.17
IUPAC Name(2R,5R)-2-(3-methoxy-5-methylsulfonyl-4-prop-2-enoxyphenyl)-5-(3,4,5-trimethoxyphenyl)oxolane
SMILESC=CCOc1c(OC)cc([C@H]2CC[C@H](c3cc(OC)c(OC)c(OC)c3)O2)cc1S(C)(=O)=O
InChIInChI=1S/C24H30O8S/c1-7-10-31-24-21(29-4)13-16(14-22(24)33(6,25)26)18-9-8-17(32-18)15-11-19(27-2)23(30-5)20(12-15)28-3/h7,11-14,17-18H,1,8-10H2,2-6H3/t17-,18-/m1/s1
InChIKeyREMDSLLTXBGZTM-QZTJIDSGSA-N
XLogP4.28
TPSA89.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.56
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R,5R)-2-(3-methoxy-5-methylsulfonyl-4-prop-2-enoxyphenyl)-5-(3,4,5-trimethoxyphenyl)oxolane?
The IUPAC name of (2R,5R)-2-(3-methoxy-5-methylsulfonyl-4-prop-2-enoxyphenyl)-5-(3,4,5-trimethoxyphenyl)oxolane (CID 67936629) is (2R,5R)-2-(3-methoxy-5-methylsulfonyl-4-prop-2-enoxyphenyl)-5-(3,4,5-trimethoxyphenyl)oxolane.
What is the SMILES notation for (2R,5R)-2-(3-methoxy-5-methylsulfonyl-4-prop-2-enoxyphenyl)-5-(3,4,5-trimethoxyphenyl)oxolane?
The canonical SMILES for (2R,5R)-2-(3-methoxy-5-methylsulfonyl-4-prop-2-enoxyphenyl)-5-(3,4,5-trimethoxyphenyl)oxolane is C=CCOc1c(OC)cc([C@H]2CC[C@H](c3cc(OC)c(OC)c(OC)c3)O2)cc1S(C)(=O)=O.
What is the InChIKey of (2R,5R)-2-(3-methoxy-5-methylsulfonyl-4-prop-2-enoxyphenyl)-5-(3,4,5-trimethoxyphenyl)oxolane?
The InChIKey is REMDSLLTXBGZTM-QZTJIDSGSA-N. The full InChI is InChI=1S/C24H30O8S/c1-7-10-31-24-21(29-4)13-16(14-22(24)33(6,25)26)18-9-8-17(32-18)15-11-19(27-2)23(30-5)20(12-15)28-3/h7,11-14,17-18H,1,8-10H2,2-6H3/t17-,18-/m1/s1.
What are the key properties of (2R,5R)-2-(3-methoxy-5-methylsulfonyl-4-prop-2-enoxyphenyl)-5-(3,4,5-trimethoxyphenyl)oxolane?
(2R,5R)-2-(3-methoxy-5-methylsulfonyl-4-prop-2-enoxyphenyl)-5-(3,4,5-trimethoxyphenyl)oxolane has a molecular weight of 478.56 g/mol, XLogP of 4.28, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5R)-2-(3-methoxy-5-methylsulfonyl-4-prop-2-enoxyphenyl)-5-(3,4,5-trimethoxyphenyl)oxolane is sourced from PubChem (CID 67936629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).