(2S,4R,5S,6S)-6-(2-hydroxy-1,3-diphenylpropan-2-yl)oxane-2,4,5-triol

C20H24O5 — CID 70102737

IUPAC(2S,4R,5S,6S)-6-(2-hydroxy-1,3-diphenylpropan-2-yl)oxane-2,4,5-triol
SMILESO[C@H]1[C@H](O)C[C@@H](O)O[C@@H]1C(O)(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C20H24O5/c21-16-11-17(22)25-19(18(16)23)20(24,12-14-7-3-1-4-8-14)13-15-9-5-2-6-10-15/h1-10,16-19,21-24H,11-13H2/t16-,17+,18+,19+/m1/s1
InChIKeyCPOBFFVRMBUFBU-XWSJACJDSA-N
MW344.41 g/mol
LogP1.03
Rot. Bonds5

About (2S,4R,5S,6S)-6-(2-hydroxy-1,3-diphenylpropan-2-yl)oxane-2,4,5-triol

(2S,4R,5S,6S)-6-(2-hydroxy-1,3-diphenylpropan-2-yl)oxane-2,4,5-triol (PubChem CID 70102737) has the molecular formula C20H24O5 and a molecular weight of 344.41 g/mol. Its IUPAC name is (2S,4R,5S,6S)-6-(2-hydroxy-1,3-diphenylpropan-2-yl)oxane-2,4,5-triol.

Molecular Properties

Compound Name(2S,4R,5S,6S)-6-(2-hydroxy-1,3-diphenylpropan-2-yl)oxane-2,4,5-triol
PubChem CID70102737
Molecular FormulaC20H24O5
Molecular Weight344.41 g/mol
Exact Mass344.16
IUPAC Name(2S,4R,5S,6S)-6-(2-hydroxy-1,3-diphenylpropan-2-yl)oxane-2,4,5-triol
SMILESO[C@H]1[C@H](O)C[C@@H](O)O[C@@H]1C(O)(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C20H24O5/c21-16-11-17(22)25-19(18(16)23)20(24,12-14-7-3-1-4-8-14)13-15-9-5-2-6-10-15/h1-10,16-19,21-24H,11-13H2/t16-,17+,18+,19+/m1/s1
InChIKeyCPOBFFVRMBUFBU-XWSJACJDSA-N
XLogP1.03
TPSA90.15 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 51.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S,4R,5S,6S)-6-(2-hydroxy-1,3-diphenylpropan-2-yl)oxane-2,4,5-triol?
The IUPAC name of (2S,4R,5S,6S)-6-(2-hydroxy-1,3-diphenylpropan-2-yl)oxane-2,4,5-triol (CID 70102737) is (2S,4R,5S,6S)-6-(2-hydroxy-1,3-diphenylpropan-2-yl)oxane-2,4,5-triol.
What is the SMILES notation for (2S,4R,5S,6S)-6-(2-hydroxy-1,3-diphenylpropan-2-yl)oxane-2,4,5-triol?
The canonical SMILES for (2S,4R,5S,6S)-6-(2-hydroxy-1,3-diphenylpropan-2-yl)oxane-2,4,5-triol is O[C@H]1[C@H](O)C[C@@H](O)O[C@@H]1C(O)(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of (2S,4R,5S,6S)-6-(2-hydroxy-1,3-diphenylpropan-2-yl)oxane-2,4,5-triol?
The InChIKey is CPOBFFVRMBUFBU-XWSJACJDSA-N. The full InChI is InChI=1S/C20H24O5/c21-16-11-17(22)25-19(18(16)23)20(24,12-14-7-3-1-4-8-14)13-15-9-5-2-6-10-15/h1-10,16-19,21-24H,11-13H2/t16-,17+,18+,19+/m1/s1.
What are the key properties of (2S,4R,5S,6S)-6-(2-hydroxy-1,3-diphenylpropan-2-yl)oxane-2,4,5-triol?
(2S,4R,5S,6S)-6-(2-hydroxy-1,3-diphenylpropan-2-yl)oxane-2,4,5-triol has a molecular weight of 344.41 g/mol, XLogP of 1.03, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R,5S,6S)-6-(2-hydroxy-1,3-diphenylpropan-2-yl)oxane-2,4,5-triol is sourced from PubChem (CID 70102737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).