(2R,3R,4S,5R,6S)-3-[3-(oxan-2-yloxy)propoxy]-2-[3-(oxan-2-yloxy)propoxymethyl]-4,5,6-tris(phenylmethoxy)oxane

C43H58O10 — CID 102011102

IUPAC(2R,3R,4S,5R,6S)-3-[3-(oxan-2-yloxy)propoxy]-2-[3-(oxan-2-yloxy)propoxymethyl]-4,5,6-tris(phenylmethoxy)oxane
SMILESc1ccc(CO[C@H]2O[C@H](COCCCOC3CCCCO3)[C@@H](OCCCOC3CCCCO3)[C@H](OCc3ccccc3)[C@H]2OCc2ccccc2)cc1
InChIInChI=1S/C43H58O10/c1-4-16-34(17-5-1)30-50-41-40(49-29-15-28-48-39-23-11-13-26-46-39)37(33-44-24-14-27-47-38-22-10-12-25-45-38)53-43(52-32-36-20-8-3-9-21-36)42(41)51-31-35-18-6-2-7-19-35/h1-9,16-21,37-43H,10-15,22-33H2/t37-,38?,39?,40-,41+,42-,43+/m1/s1
InChIKeyBUQYZYHUFKKCSG-SEYDFIEUSA-N
MW734.93 g/mol
LogP7.37
Rot. Bonds22

About (2R,3R,4S,5R,6S)-3-[3-(oxan-2-yloxy)propoxy]-2-[3-(oxan-2-yloxy)propoxymethyl]-4,5,6-tris(phenylmethoxy)oxane

(2R,3R,4S,5R,6S)-3-[3-(oxan-2-yloxy)propoxy]-2-[3-(oxan-2-yloxy)propoxymethyl]-4,5,6-tris(phenylmethoxy)oxane (PubChem CID 102011102) has the molecular formula C43H58O10 and a molecular weight of 734.93 g/mol. Its IUPAC name is (2R,3R,4S,5R,6S)-3-[3-(oxan-2-yloxy)propoxy]-2-[3-(oxan-2-yloxy)propoxymethyl]-4,5,6-tris(phenylmethoxy)oxane.

Molecular Properties

Compound Name(2R,3R,4S,5R,6S)-3-[3-(oxan-2-yloxy)propoxy]-2-[3-(oxan-2-yloxy)propoxymethyl]-4,5,6-tris(phenylmethoxy)oxane
PubChem CID102011102
Molecular FormulaC43H58O10
Molecular Weight734.93 g/mol
Exact Mass734.40
IUPAC Name(2R,3R,4S,5R,6S)-3-[3-(oxan-2-yloxy)propoxy]-2-[3-(oxan-2-yloxy)propoxymethyl]-4,5,6-tris(phenylmethoxy)oxane
SMILESc1ccc(CO[C@H]2O[C@H](COCCCOC3CCCCO3)[C@@H](OCCCOC3CCCCO3)[C@H](OCc3ccccc3)[C@H]2OCc2ccccc2)cc1
InChIInChI=1S/C43H58O10/c1-4-16-34(17-5-1)30-50-41-40(49-29-15-28-48-39-23-11-13-26-46-39)37(33-44-24-14-27-47-38-22-10-12-25-45-38)53-43(52-32-36-20-8-3-9-21-36)42(41)51-31-35-18-6-2-7-19-35/h1-9,16-21,37-43H,10-15,22-33H2/t37-,38?,39?,40-,41+,42-,43+/m1/s1
InChIKeyBUQYZYHUFKKCSG-SEYDFIEUSA-N
XLogP7.37
TPSA92.30 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds22
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500734.93
LogP ≤ 57.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze (2R,3R,4S,5R,6S)-3-[3-(oxan-2-yloxy)propoxy]-2-[3-(oxan-2-yloxy)propoxymethyl]-4,5,6-tris(phenylmethoxy)oxane with MolForge

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Related Compounds

(2R,3R,4S,5R,6R)-3-[3-(oxan-2-yloxy)propoxy]-2-[3-(oxan-2-yloxy)propoxymethyl]-4,5-bis(phenylmethoxy)-6-prop-2-enoxyoxane
CID 10908591
(2R,3R,4S,5R)-2-(8-bromooctoxymethyl)-3,4,5,6-tetrakis(phenylmethoxy)oxane
CID 166517588
(2S,3S,4S,5R,6R)-2,3,4,5-tetrakis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 66864680
(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,4S,5R,6R)-2-hexadecoxy-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 10259591
2,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)-3-[3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxane
CID 3665979
(2R,3R,4R,5R)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-5-(3-phenylpropoxy)oxolane
CID 10951628
(2R,3S,4R,6Z)-6-[4-(oxan-2-yloxy)butylidene]-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxane
CID 101459333
2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]oxane
CID 165126969
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]oxane
CID 162640826
tert-butyl-dimethyl-[4-[(2R,3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxybutoxy]silane
CID 178166627
[(2R,3R,4S,5R,6R)-6-[(2S)-oxolan-2-yl]oxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methanol
CID 102364580

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5R,6S)-3-[3-(oxan-2-yloxy)propoxy]-2-[3-(oxan-2-yloxy)propoxymethyl]-4,5,6-tris(phenylmethoxy)oxane?
The IUPAC name of (2R,3R,4S,5R,6S)-3-[3-(oxan-2-yloxy)propoxy]-2-[3-(oxan-2-yloxy)propoxymethyl]-4,5,6-tris(phenylmethoxy)oxane (CID 102011102) is (2R,3R,4S,5R,6S)-3-[3-(oxan-2-yloxy)propoxy]-2-[3-(oxan-2-yloxy)propoxymethyl]-4,5,6-tris(phenylmethoxy)oxane.
What is the SMILES notation for (2R,3R,4S,5R,6S)-3-[3-(oxan-2-yloxy)propoxy]-2-[3-(oxan-2-yloxy)propoxymethyl]-4,5,6-tris(phenylmethoxy)oxane?
The canonical SMILES for (2R,3R,4S,5R,6S)-3-[3-(oxan-2-yloxy)propoxy]-2-[3-(oxan-2-yloxy)propoxymethyl]-4,5,6-tris(phenylmethoxy)oxane is c1ccc(CO[C@H]2O[C@H](COCCCOC3CCCCO3)[C@@H](OCCCOC3CCCCO3)[C@H](OCc3ccccc3)[C@H]2OCc2ccccc2)cc1.
What is the InChIKey of (2R,3R,4S,5R,6S)-3-[3-(oxan-2-yloxy)propoxy]-2-[3-(oxan-2-yloxy)propoxymethyl]-4,5,6-tris(phenylmethoxy)oxane?
The InChIKey is BUQYZYHUFKKCSG-SEYDFIEUSA-N. The full InChI is InChI=1S/C43H58O10/c1-4-16-34(17-5-1)30-50-41-40(49-29-15-28-48-39-23-11-13-26-46-39)37(33-44-24-14-27-47-38-22-10-12-25-45-38)53-43(52-32-36-20-8-3-9-21-36)42(41)51-31-35-18-6-2-7-19-35/h1-9,16-21,37-43H,10-15,22-33H2/t37-,38?,39?,40-,41+,42-,43+/m1/s1.
What are the key properties of (2R,3R,4S,5R,6S)-3-[3-(oxan-2-yloxy)propoxy]-2-[3-(oxan-2-yloxy)propoxymethyl]-4,5,6-tris(phenylmethoxy)oxane?
(2R,3R,4S,5R,6S)-3-[3-(oxan-2-yloxy)propoxy]-2-[3-(oxan-2-yloxy)propoxymethyl]-4,5,6-tris(phenylmethoxy)oxane has a molecular weight of 734.93 g/mol, XLogP of 7.37, 22 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5R,6S)-3-[3-(oxan-2-yloxy)propoxy]-2-[3-(oxan-2-yloxy)propoxymethyl]-4,5,6-tris(phenylmethoxy)oxane is sourced from PubChem (CID 102011102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).