(2R,3S,4S,5R)-1,6-diphenyl-2,5-bis(phenylmethoxy)hexane-3,4-diol

C32H34O4 — CID 3011293

IUPAC(2R,3S,4S,5R)-1,6-diphenyl-2,5-bis(phenylmethoxy)hexane-3,4-diol
SMILESO[C@@H]([C@H](O)[C@@H](Cc1ccccc1)OCc1ccccc1)[C@@H](Cc1ccccc1)OCc1ccccc1
InChIInChI=1S/C32H34O4/c33-31(29(21-25-13-5-1-6-14-25)35-23-27-17-9-3-10-18-27)32(34)30(22-26-15-7-2-8-16-26)36-24-28-19-11-4-12-20-28/h1-20,29-34H,21-24H2/t29-,30-,31-,32-/m1/s1
InChIKeyUCGMCPKWNDAGPA-SEVDZJIVSA-N
MW482.62 g/mol
LogP5.36
Rot. Bonds13

About (2R,3S,4S,5R)-1,6-diphenyl-2,5-bis(phenylmethoxy)hexane-3,4-diol

(2R,3S,4S,5R)-1,6-diphenyl-2,5-bis(phenylmethoxy)hexane-3,4-diol (PubChem CID 3011293) has the molecular formula C32H34O4 and a molecular weight of 482.62 g/mol. Its IUPAC name is (2R,3S,4S,5R)-1,6-diphenyl-2,5-bis(phenylmethoxy)hexane-3,4-diol.

Molecular Properties

Compound Name(2R,3S,4S,5R)-1,6-diphenyl-2,5-bis(phenylmethoxy)hexane-3,4-diol
PubChem CID3011293
Molecular FormulaC32H34O4
Molecular Weight482.62 g/mol
Exact Mass482.25
IUPAC Name(2R,3S,4S,5R)-1,6-diphenyl-2,5-bis(phenylmethoxy)hexane-3,4-diol
SMILESO[C@@H]([C@H](O)[C@@H](Cc1ccccc1)OCc1ccccc1)[C@@H](Cc1ccccc1)OCc1ccccc1
InChIInChI=1S/C32H34O4/c33-31(29(21-25-13-5-1-6-14-25)35-23-27-17-9-3-10-18-27)32(34)30(22-26-15-7-2-8-16-26)36-24-28-19-11-4-12-20-28/h1-20,29-34H,21-24H2/t29-,30-,31-,32-/m1/s1
InChIKeyUCGMCPKWNDAGPA-SEVDZJIVSA-N
XLogP5.36
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.62
LogP ≤ 55.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S,5R)-1,6-diphenyl-2,5-bis(phenylmethoxy)hexane-3,4-diol?
The IUPAC name of (2R,3S,4S,5R)-1,6-diphenyl-2,5-bis(phenylmethoxy)hexane-3,4-diol (CID 3011293) is (2R,3S,4S,5R)-1,6-diphenyl-2,5-bis(phenylmethoxy)hexane-3,4-diol.
What is the SMILES notation for (2R,3S,4S,5R)-1,6-diphenyl-2,5-bis(phenylmethoxy)hexane-3,4-diol?
The canonical SMILES for (2R,3S,4S,5R)-1,6-diphenyl-2,5-bis(phenylmethoxy)hexane-3,4-diol is O[C@@H]([C@H](O)[C@@H](Cc1ccccc1)OCc1ccccc1)[C@@H](Cc1ccccc1)OCc1ccccc1.
What is the InChIKey of (2R,3S,4S,5R)-1,6-diphenyl-2,5-bis(phenylmethoxy)hexane-3,4-diol?
The InChIKey is UCGMCPKWNDAGPA-SEVDZJIVSA-N. The full InChI is InChI=1S/C32H34O4/c33-31(29(21-25-13-5-1-6-14-25)35-23-27-17-9-3-10-18-27)32(34)30(22-26-15-7-2-8-16-26)36-24-28-19-11-4-12-20-28/h1-20,29-34H,21-24H2/t29-,30-,31-,32-/m1/s1.
What are the key properties of (2R,3S,4S,5R)-1,6-diphenyl-2,5-bis(phenylmethoxy)hexane-3,4-diol?
(2R,3S,4S,5R)-1,6-diphenyl-2,5-bis(phenylmethoxy)hexane-3,4-diol has a molecular weight of 482.62 g/mol, XLogP of 5.36, 13 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S,5R)-1,6-diphenyl-2,5-bis(phenylmethoxy)hexane-3,4-diol is sourced from PubChem (CID 3011293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).