(2R,3R,4R,5S)-2-[(1R)-1,2-dihydroxyethyl]-5-[4-methyl-3-[(4-propan-2-ylphenyl)methyl]phenyl]oxolane-3,4-diol

C23H30O5 — CID 73354077

IUPAC(2R,3R,4R,5S)-2-[(1R)-1,2-dihydroxyethyl]-5-[4-methyl-3-[(4-propan-2-ylphenyl)methyl]phenyl]oxolane-3,4-diol
SMILESCc1ccc([C@@H]2O[C@H]([C@H](O)CO)[C@H](O)[C@H]2O)cc1Cc1ccc(C(C)C)cc1
InChIInChI=1S/C23H30O5/c1-13(2)16-8-5-15(6-9-16)10-18-11-17(7-4-14(18)3)22-20(26)21(27)23(28-22)19(25)12-24/h4-9,11,13,19-27H,10,12H2,1-3H3/t19-,20-,21-,22+,23-/m1/s1
InChIKeyOICSLPNJYHCWIL-FWKCKQQBSA-N
MW386.49 g/mol
LogP2.22
Rot. Bonds6

About (2R,3R,4R,5S)-2-[(1R)-1,2-dihydroxyethyl]-5-[4-methyl-3-[(4-propan-2-ylphenyl)methyl]phenyl]oxolane-3,4-diol

(2R,3R,4R,5S)-2-[(1R)-1,2-dihydroxyethyl]-5-[4-methyl-3-[(4-propan-2-ylphenyl)methyl]phenyl]oxolane-3,4-diol (PubChem CID 73354077) has the molecular formula C23H30O5 and a molecular weight of 386.49 g/mol. Its IUPAC name is (2R,3R,4R,5S)-2-[(1R)-1,2-dihydroxyethyl]-5-[4-methyl-3-[(4-propan-2-ylphenyl)methyl]phenyl]oxolane-3,4-diol.

Molecular Properties

Compound Name(2R,3R,4R,5S)-2-[(1R)-1,2-dihydroxyethyl]-5-[4-methyl-3-[(4-propan-2-ylphenyl)methyl]phenyl]oxolane-3,4-diol
PubChem CID73354077
Molecular FormulaC23H30O5
Molecular Weight386.49 g/mol
Exact Mass386.21
IUPAC Name(2R,3R,4R,5S)-2-[(1R)-1,2-dihydroxyethyl]-5-[4-methyl-3-[(4-propan-2-ylphenyl)methyl]phenyl]oxolane-3,4-diol
SMILESCc1ccc([C@@H]2O[C@H]([C@H](O)CO)[C@H](O)[C@H]2O)cc1Cc1ccc(C(C)C)cc1
InChIInChI=1S/C23H30O5/c1-13(2)16-8-5-15(6-9-16)10-18-11-17(7-4-14(18)3)22-20(26)21(27)23(28-22)19(25)12-24/h4-9,11,13,19-27H,10,12H2,1-3H3/t19-,20-,21-,22+,23-/m1/s1
InChIKeyOICSLPNJYHCWIL-FWKCKQQBSA-N
XLogP2.22
TPSA90.15 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.49
LogP ≤ 52.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5S)-2-[(1R)-1,2-dihydroxyethyl]-5-[4-methyl-3-[(4-propan-2-ylphenyl)methyl]phenyl]oxolane-3,4-diol?
The IUPAC name of (2R,3R,4R,5S)-2-[(1R)-1,2-dihydroxyethyl]-5-[4-methyl-3-[(4-propan-2-ylphenyl)methyl]phenyl]oxolane-3,4-diol (CID 73354077) is (2R,3R,4R,5S)-2-[(1R)-1,2-dihydroxyethyl]-5-[4-methyl-3-[(4-propan-2-ylphenyl)methyl]phenyl]oxolane-3,4-diol.
What is the SMILES notation for (2R,3R,4R,5S)-2-[(1R)-1,2-dihydroxyethyl]-5-[4-methyl-3-[(4-propan-2-ylphenyl)methyl]phenyl]oxolane-3,4-diol?
The canonical SMILES for (2R,3R,4R,5S)-2-[(1R)-1,2-dihydroxyethyl]-5-[4-methyl-3-[(4-propan-2-ylphenyl)methyl]phenyl]oxolane-3,4-diol is Cc1ccc([C@@H]2O[C@H]([C@H](O)CO)[C@H](O)[C@H]2O)cc1Cc1ccc(C(C)C)cc1.
What is the InChIKey of (2R,3R,4R,5S)-2-[(1R)-1,2-dihydroxyethyl]-5-[4-methyl-3-[(4-propan-2-ylphenyl)methyl]phenyl]oxolane-3,4-diol?
The InChIKey is OICSLPNJYHCWIL-FWKCKQQBSA-N. The full InChI is InChI=1S/C23H30O5/c1-13(2)16-8-5-15(6-9-16)10-18-11-17(7-4-14(18)3)22-20(26)21(27)23(28-22)19(25)12-24/h4-9,11,13,19-27H,10,12H2,1-3H3/t19-,20-,21-,22+,23-/m1/s1.
What are the key properties of (2R,3R,4R,5S)-2-[(1R)-1,2-dihydroxyethyl]-5-[4-methyl-3-[(4-propan-2-ylphenyl)methyl]phenyl]oxolane-3,4-diol?
(2R,3R,4R,5S)-2-[(1R)-1,2-dihydroxyethyl]-5-[4-methyl-3-[(4-propan-2-ylphenyl)methyl]phenyl]oxolane-3,4-diol has a molecular weight of 386.49 g/mol, XLogP of 2.22, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5S)-2-[(1R)-1,2-dihydroxyethyl]-5-[4-methyl-3-[(4-propan-2-ylphenyl)methyl]phenyl]oxolane-3,4-diol is sourced from PubChem (CID 73354077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).