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

C32H30O6 — CID 46871974

IUPAC(1S,2S)-1,2-bis[(4R)-2,2-diphenyl-1,3-dioxolan-4-yl]ethane-1,2-diol
SMILESO[C@@H]([C@H](O)[C@H]1COC(c2ccccc2)(c2ccccc2)O1)[C@H]1COC(c2ccccc2)(c2ccccc2)O1
InChIInChI=1S/C32H30O6/c33-29(27-21-35-31(37-27,23-13-5-1-6-14-23)24-15-7-2-8-16-24)30(34)28-22-36-32(38-28,25-17-9-3-10-18-25)26-19-11-4-12-20-26/h1-20,27-30,33-34H,21-22H2/t27-,28-,29-,30-/m1/s1
InChIKeyJYYZLBSVMGEBAY-SKKKGAJSSA-N
MW510.59 g/mol
LogP4.34
Rot. Bonds7

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

(1S,2S)-1,2-bis[(4R)-2,2-diphenyl-1,3-dioxolan-4-yl]ethane-1,2-diol (PubChem CID 46871974) has the molecular formula C32H30O6 and a molecular weight of 510.59 g/mol. Its IUPAC name is (1S,2S)-1,2-bis[(4R)-2,2-diphenyl-1,3-dioxolan-4-yl]ethane-1,2-diol.

Molecular Properties

Compound Name(1S,2S)-1,2-bis[(4R)-2,2-diphenyl-1,3-dioxolan-4-yl]ethane-1,2-diol
PubChem CID46871974
Molecular FormulaC32H30O6
Molecular Weight510.59 g/mol
Exact Mass510.20
IUPAC Name(1S,2S)-1,2-bis[(4R)-2,2-diphenyl-1,3-dioxolan-4-yl]ethane-1,2-diol
SMILESO[C@@H]([C@H](O)[C@H]1COC(c2ccccc2)(c2ccccc2)O1)[C@H]1COC(c2ccccc2)(c2ccccc2)O1
InChIInChI=1S/C32H30O6/c33-29(27-21-35-31(37-27,23-13-5-1-6-14-23)24-15-7-2-8-16-24)30(34)28-22-36-32(38-28,25-17-9-3-10-18-25)26-19-11-4-12-20-26/h1-20,27-30,33-34H,21-22H2/t27-,28-,29-,30-/m1/s1
InChIKeyJYYZLBSVMGEBAY-SKKKGAJSSA-N
XLogP4.34
TPSA77.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.59
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (1S,2S)-1,2-bis[(4R)-2,2-diphenyl-1,3-dioxolan-4-yl]ethane-1,2-diol?
The IUPAC name of (1S,2S)-1,2-bis[(4R)-2,2-diphenyl-1,3-dioxolan-4-yl]ethane-1,2-diol (CID 46871974) is (1S,2S)-1,2-bis[(4R)-2,2-diphenyl-1,3-dioxolan-4-yl]ethane-1,2-diol.
What is the SMILES notation for (1S,2S)-1,2-bis[(4R)-2,2-diphenyl-1,3-dioxolan-4-yl]ethane-1,2-diol?
The canonical SMILES for (1S,2S)-1,2-bis[(4R)-2,2-diphenyl-1,3-dioxolan-4-yl]ethane-1,2-diol is O[C@@H]([C@H](O)[C@H]1COC(c2ccccc2)(c2ccccc2)O1)[C@H]1COC(c2ccccc2)(c2ccccc2)O1.
What is the InChIKey of (1S,2S)-1,2-bis[(4R)-2,2-diphenyl-1,3-dioxolan-4-yl]ethane-1,2-diol?
The InChIKey is JYYZLBSVMGEBAY-SKKKGAJSSA-N. The full InChI is InChI=1S/C32H30O6/c33-29(27-21-35-31(37-27,23-13-5-1-6-14-23)24-15-7-2-8-16-24)30(34)28-22-36-32(38-28,25-17-9-3-10-18-25)26-19-11-4-12-20-26/h1-20,27-30,33-34H,21-22H2/t27-,28-,29-,30-/m1/s1.
What are the key properties of (1S,2S)-1,2-bis[(4R)-2,2-diphenyl-1,3-dioxolan-4-yl]ethane-1,2-diol?
(1S,2S)-1,2-bis[(4R)-2,2-diphenyl-1,3-dioxolan-4-yl]ethane-1,2-diol has a molecular weight of 510.59 g/mol, XLogP of 4.34, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S)-1,2-bis[(4R)-2,2-diphenyl-1,3-dioxolan-4-yl]ethane-1,2-diol is sourced from PubChem (CID 46871974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).