(1S,2S)-1-[(4R)-2-(4-methylphenyl)-1,3-dioxolan-4-yl]-2-[(4S)-2-(4-methylphenyl)-1,3-dioxolan-4-yl]ethane-1,2-diol

C22H26O6 — CID 11069095

IUPAC(1S,2S)-1-[(4R)-2-(4-methylphenyl)-1,3-dioxolan-4-yl]-2-[(4S)-2-(4-methylphenyl)-1,3-dioxolan-4-yl]ethane-1,2-diol
SMILESCc1ccc(C2OC[C@@H]([C@@H](O)[C@H](O)[C@H]3COC(c4ccc(C)cc4)O3)O2)cc1
InChIInChI=1S/C22H26O6/c1-13-3-7-15(8-4-13)21-25-11-17(27-21)19(23)20(24)18-12-26-22(28-18)16-9-5-14(2)6-10-16/h3-10,17-24H,11-12H2,1-2H3/t17-,18+,19-,20-,21?,22?/m1/s1
InChIKeyHDUNAIVOFOKALD-RLCYQCIGSA-N
MW386.44 g/mol
LogP2.55
Rot. Bonds5

About (1S,2S)-1-[(4R)-2-(4-methylphenyl)-1,3-dioxolan-4-yl]-2-[(4S)-2-(4-methylphenyl)-1,3-dioxolan-4-yl]ethane-1,2-diol

(1S,2S)-1-[(4R)-2-(4-methylphenyl)-1,3-dioxolan-4-yl]-2-[(4S)-2-(4-methylphenyl)-1,3-dioxolan-4-yl]ethane-1,2-diol (PubChem CID 11069095) has the molecular formula C22H26O6 and a molecular weight of 386.44 g/mol. Its IUPAC name is (1S,2S)-1-[(4R)-2-(4-methylphenyl)-1,3-dioxolan-4-yl]-2-[(4S)-2-(4-methylphenyl)-1,3-dioxolan-4-yl]ethane-1,2-diol.

Molecular Properties

Compound Name(1S,2S)-1-[(4R)-2-(4-methylphenyl)-1,3-dioxolan-4-yl]-2-[(4S)-2-(4-methylphenyl)-1,3-dioxolan-4-yl]ethane-1,2-diol
PubChem CID11069095
Molecular FormulaC22H26O6
Molecular Weight386.44 g/mol
Exact Mass386.17
IUPAC Name(1S,2S)-1-[(4R)-2-(4-methylphenyl)-1,3-dioxolan-4-yl]-2-[(4S)-2-(4-methylphenyl)-1,3-dioxolan-4-yl]ethane-1,2-diol
SMILESCc1ccc(C2OC[C@@H]([C@@H](O)[C@H](O)[C@H]3COC(c4ccc(C)cc4)O3)O2)cc1
InChIInChI=1S/C22H26O6/c1-13-3-7-15(8-4-13)21-25-11-17(27-21)19(23)20(24)18-12-26-22(28-18)16-9-5-14(2)6-10-16/h3-10,17-24H,11-12H2,1-2H3/t17-,18+,19-,20-,21?,22?/m1/s1
InChIKeyHDUNAIVOFOKALD-RLCYQCIGSA-N
XLogP2.55
TPSA77.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.44
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (1S,2S)-1-[(4R)-2-(4-methylphenyl)-1,3-dioxolan-4-yl]-2-[(4S)-2-(4-methylphenyl)-1,3-dioxolan-4-yl]ethane-1,2-diol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1S,2S)-1-[(4R)-2-(4-methylphenyl)-1,3-dioxolan-4-yl]-2-[(4S)-2-(4-methylphenyl)-1,3-dioxolan-4-yl]ethane-1,2-diol?
The IUPAC name of (1S,2S)-1-[(4R)-2-(4-methylphenyl)-1,3-dioxolan-4-yl]-2-[(4S)-2-(4-methylphenyl)-1,3-dioxolan-4-yl]ethane-1,2-diol (CID 11069095) is (1S,2S)-1-[(4R)-2-(4-methylphenyl)-1,3-dioxolan-4-yl]-2-[(4S)-2-(4-methylphenyl)-1,3-dioxolan-4-yl]ethane-1,2-diol.
What is the SMILES notation for (1S,2S)-1-[(4R)-2-(4-methylphenyl)-1,3-dioxolan-4-yl]-2-[(4S)-2-(4-methylphenyl)-1,3-dioxolan-4-yl]ethane-1,2-diol?
The canonical SMILES for (1S,2S)-1-[(4R)-2-(4-methylphenyl)-1,3-dioxolan-4-yl]-2-[(4S)-2-(4-methylphenyl)-1,3-dioxolan-4-yl]ethane-1,2-diol is Cc1ccc(C2OC[C@@H]([C@@H](O)[C@H](O)[C@H]3COC(c4ccc(C)cc4)O3)O2)cc1.
What is the InChIKey of (1S,2S)-1-[(4R)-2-(4-methylphenyl)-1,3-dioxolan-4-yl]-2-[(4S)-2-(4-methylphenyl)-1,3-dioxolan-4-yl]ethane-1,2-diol?
The InChIKey is HDUNAIVOFOKALD-RLCYQCIGSA-N. The full InChI is InChI=1S/C22H26O6/c1-13-3-7-15(8-4-13)21-25-11-17(27-21)19(23)20(24)18-12-26-22(28-18)16-9-5-14(2)6-10-16/h3-10,17-24H,11-12H2,1-2H3/t17-,18+,19-,20-,21?,22?/m1/s1.
What are the key properties of (1S,2S)-1-[(4R)-2-(4-methylphenyl)-1,3-dioxolan-4-yl]-2-[(4S)-2-(4-methylphenyl)-1,3-dioxolan-4-yl]ethane-1,2-diol?
(1S,2S)-1-[(4R)-2-(4-methylphenyl)-1,3-dioxolan-4-yl]-2-[(4S)-2-(4-methylphenyl)-1,3-dioxolan-4-yl]ethane-1,2-diol has a molecular weight of 386.44 g/mol, XLogP of 2.55, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S)-1-[(4R)-2-(4-methylphenyl)-1,3-dioxolan-4-yl]-2-[(4S)-2-(4-methylphenyl)-1,3-dioxolan-4-yl]ethane-1,2-diol is sourced from PubChem (CID 11069095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).