(3R,4S,5R,6R)-2,3,4,5-tetrakis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane

C41H42O6 — CID 14283738

IUPAC(3R,4S,5R,6R)-2,3,4,5-tetrakis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
SMILESc1ccc(COC[C@H]2OC(OCc3ccccc3)[C@H](OCc3ccccc3)[C@@H](OCc3ccccc3)[C@@H]2OCc2ccccc2)cc1
InChIInChI=1S/C41H42O6/c1-6-16-32(17-7-1)26-42-31-37-38(43-27-33-18-8-2-9-19-33)39(44-28-34-20-10-3-11-21-34)40(45-29-35-22-12-4-13-23-35)41(47-37)46-30-36-24-14-5-15-25-36/h1-25,37-41H,26-31H2/t37-,38-,39+,40-,41?/m1/s1
InChIKeyDGGSYWYWUWWYJA-WWGFXPMHSA-N
MW630.78 g/mol
LogP7.90
Rot. Bonds16

About (3R,4S,5R,6R)-2,3,4,5-tetrakis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane

(3R,4S,5R,6R)-2,3,4,5-tetrakis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane (PubChem CID 14283738) has the molecular formula C41H42O6 and a molecular weight of 630.78 g/mol. Its IUPAC name is (3R,4S,5R,6R)-2,3,4,5-tetrakis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane.

Molecular Properties

Compound Name(3R,4S,5R,6R)-2,3,4,5-tetrakis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
PubChem CID14283738
Molecular FormulaC41H42O6
Molecular Weight630.78 g/mol
Exact Mass630.30
IUPAC Name(3R,4S,5R,6R)-2,3,4,5-tetrakis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
SMILESc1ccc(COC[C@H]2OC(OCc3ccccc3)[C@H](OCc3ccccc3)[C@@H](OCc3ccccc3)[C@@H]2OCc2ccccc2)cc1
InChIInChI=1S/C41H42O6/c1-6-16-32(17-7-1)26-42-31-37-38(43-27-33-18-8-2-9-19-33)39(44-28-34-20-10-3-11-21-34)40(45-29-35-22-12-4-13-23-35)41(47-37)46-30-36-24-14-5-15-25-36/h1-25,37-41H,26-31H2/t37-,38-,39+,40-,41?/m1/s1
InChIKeyDGGSYWYWUWWYJA-WWGFXPMHSA-N
XLogP7.90
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500630.78
LogP ≤ 57.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3R,4S,5R,6R)-2,3,4,5-tetrakis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane?
The IUPAC name of (3R,4S,5R,6R)-2,3,4,5-tetrakis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane (CID 14283738) is (3R,4S,5R,6R)-2,3,4,5-tetrakis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane.
What is the SMILES notation for (3R,4S,5R,6R)-2,3,4,5-tetrakis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane?
The canonical SMILES for (3R,4S,5R,6R)-2,3,4,5-tetrakis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane is c1ccc(COC[C@H]2OC(OCc3ccccc3)[C@H](OCc3ccccc3)[C@@H](OCc3ccccc3)[C@@H]2OCc2ccccc2)cc1.
What is the InChIKey of (3R,4S,5R,6R)-2,3,4,5-tetrakis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane?
The InChIKey is DGGSYWYWUWWYJA-WWGFXPMHSA-N. The full InChI is InChI=1S/C41H42O6/c1-6-16-32(17-7-1)26-42-31-37-38(43-27-33-18-8-2-9-19-33)39(44-28-34-20-10-3-11-21-34)40(45-29-35-22-12-4-13-23-35)41(47-37)46-30-36-24-14-5-15-25-36/h1-25,37-41H,26-31H2/t37-,38-,39+,40-,41?/m1/s1.
What are the key properties of (3R,4S,5R,6R)-2,3,4,5-tetrakis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane?
(3R,4S,5R,6R)-2,3,4,5-tetrakis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane has a molecular weight of 630.78 g/mol, XLogP of 7.90, 16 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S,5R,6R)-2,3,4,5-tetrakis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane is sourced from PubChem (CID 14283738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).