(2R,3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)-6-(2-prop-2-enylphenoxy)oxane

C43H44O6 — CID 102451516

IUPAC(2R,3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)-6-(2-prop-2-enylphenoxy)oxane
SMILESC=CCc1ccccc1O[C@H]1O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H]1OCc1ccccc1
InChIInChI=1S/C43H44O6/c1-2-17-37-26-15-16-27-38(37)48-43-42(47-31-36-24-13-6-14-25-36)41(46-30-35-22-11-5-12-23-35)40(45-29-34-20-9-4-10-21-34)39(49-43)32-44-28-33-18-7-3-8-19-33/h2-16,18-27,39-43H,1,17,28-32H2/t39-,40-,41+,42+,43+/m1/s1
InChIKeyZCGAQOTVPCYFBJ-FYYRRIAOSA-N
MW656.82 g/mol
LogP8.49
Rot. Bonds17

About (2R,3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)-6-(2-prop-2-enylphenoxy)oxane

(2R,3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)-6-(2-prop-2-enylphenoxy)oxane (PubChem CID 102451516) has the molecular formula C43H44O6 and a molecular weight of 656.82 g/mol. Its IUPAC name is (2R,3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)-6-(2-prop-2-enylphenoxy)oxane.

Molecular Properties

Compound Name(2R,3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)-6-(2-prop-2-enylphenoxy)oxane
PubChem CID102451516
Molecular FormulaC43H44O6
Molecular Weight656.82 g/mol
Exact Mass656.31
IUPAC Name(2R,3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)-6-(2-prop-2-enylphenoxy)oxane
SMILESC=CCc1ccccc1O[C@H]1O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H]1OCc1ccccc1
InChIInChI=1S/C43H44O6/c1-2-17-37-26-15-16-27-38(37)48-43-42(47-31-36-24-13-6-14-25-36)41(46-30-35-22-11-5-12-23-35)40(45-29-34-20-9-4-10-21-34)39(49-43)32-44-28-33-18-7-3-8-19-33/h2-16,18-27,39-43H,1,17,28-32H2/t39-,40-,41+,42+,43+/m1/s1
InChIKeyZCGAQOTVPCYFBJ-FYYRRIAOSA-N
XLogP8.49
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds17
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500656.82
LogP ≤ 58.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(2R,3R,4S,5R,6S)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-5,6-bis(prop-2-enoxy)oxane
CID 67465607
(2S,3S,4S,5R,6R)-2,3,4,5-tetrakis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 66864680
(2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5R,6R)-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-6-prop-2-enoxyoxan-3-yl]oxy-3,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-4-prop-2-enoxyoxane
CID 11804008
(2R,3S,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)-6-[(2R,3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxane
CID 56651177
(2R,3R,4S,5R,6R)-2-pent-4-enoxy-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 10483847
[(2R,3R,4S,5S,6R)-6-[(2S,3S,4S,5R,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-2-prop-2-enoxyoxan-3-yl]oxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methanol
CID 101247694
(2R,3R,4S,5R)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-5-prop-2-enyloxolane
CID 11048522
(2S,3R,4S,5S,6R)-2,3,4,5-tetrakis(phenylmethoxy)-6-[[(2R,3S,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxymethyl]oxane
CID 14018148
(2R,3R,4R,5R)-3,4-bis(phenylmethoxy)-2,5-bis(phenylmethoxymethyl)oxolane
CID 14020682
1-[2-[(3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-[(4-phenylphenyl)methoxymethyl]oxan-2-yl]oxyphenyl]ethanone
CID 70137852
(2S,3S,4S,5S)-2-methoxy-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 66509215
[(3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl] hypofluorite
CID 101133508

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)-6-(2-prop-2-enylphenoxy)oxane?
The IUPAC name of (2R,3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)-6-(2-prop-2-enylphenoxy)oxane (CID 102451516) is (2R,3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)-6-(2-prop-2-enylphenoxy)oxane.
What is the SMILES notation for (2R,3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)-6-(2-prop-2-enylphenoxy)oxane?
The canonical SMILES for (2R,3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)-6-(2-prop-2-enylphenoxy)oxane is C=CCc1ccccc1O[C@H]1O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H]1OCc1ccccc1.
What is the InChIKey of (2R,3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)-6-(2-prop-2-enylphenoxy)oxane?
The InChIKey is ZCGAQOTVPCYFBJ-FYYRRIAOSA-N. The full InChI is InChI=1S/C43H44O6/c1-2-17-37-26-15-16-27-38(37)48-43-42(47-31-36-24-13-6-14-25-36)41(46-30-35-22-11-5-12-23-35)40(45-29-34-20-9-4-10-21-34)39(49-43)32-44-28-33-18-7-3-8-19-33/h2-16,18-27,39-43H,1,17,28-32H2/t39-,40-,41+,42+,43+/m1/s1.
What are the key properties of (2R,3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)-6-(2-prop-2-enylphenoxy)oxane?
(2R,3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)-6-(2-prop-2-enylphenoxy)oxane has a molecular weight of 656.82 g/mol, XLogP of 8.49, 17 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)-6-(2-prop-2-enylphenoxy)oxane is sourced from PubChem (CID 102451516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).