(2S,3S,4R,5R,6R)-2-[5-[(4-methoxyphenyl)methyl]-2-(prop-2-enoxymethyl)phenyl]-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane

C52H54O7 — CID 89453284

IUPAC(2S,3S,4R,5R,6R)-2-[5-[(4-methoxyphenyl)methyl]-2-(prop-2-enoxymethyl)phenyl]-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
SMILESC=CCOCc1ccc(Cc2ccc(OC)cc2)cc1[C@@H]1O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)C1OCc1ccccc1
InChIInChI=1S/C52H54O7/c1-3-30-54-37-45-27-24-44(31-39-25-28-46(53-2)29-26-39)32-47(45)49-51(57-35-42-20-12-6-13-21-42)52(58-36-43-22-14-7-15-23-43)50(56-34-41-18-10-5-11-19-41)48(59-49)38-55-33-40-16-8-4-9-17-40/h3-29,32,48-52H,1,30-31,33-38H2,2H3/t48-,49+,50-,51?,52+/m1/s1
InChIKeyNFVQBHSGOOUZMZ-QISSHCBFSA-N
MW791.00 g/mol
LogP10.40
Rot. Bonds21

About (2S,3S,4R,5R,6R)-2-[5-[(4-methoxyphenyl)methyl]-2-(prop-2-enoxymethyl)phenyl]-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane

(2S,3S,4R,5R,6R)-2-[5-[(4-methoxyphenyl)methyl]-2-(prop-2-enoxymethyl)phenyl]-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane (PubChem CID 89453284) has the molecular formula C52H54O7 and a molecular weight of 791.00 g/mol. Its IUPAC name is (2S,3S,4R,5R,6R)-2-[5-[(4-methoxyphenyl)methyl]-2-(prop-2-enoxymethyl)phenyl]-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane.

Molecular Properties

Compound Name(2S,3S,4R,5R,6R)-2-[5-[(4-methoxyphenyl)methyl]-2-(prop-2-enoxymethyl)phenyl]-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
PubChem CID89453284
Molecular FormulaC52H54O7
Molecular Weight791.00 g/mol
Exact Mass790.39
IUPAC Name(2S,3S,4R,5R,6R)-2-[5-[(4-methoxyphenyl)methyl]-2-(prop-2-enoxymethyl)phenyl]-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
SMILESC=CCOCc1ccc(Cc2ccc(OC)cc2)cc1[C@@H]1O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)C1OCc1ccccc1
InChIInChI=1S/C52H54O7/c1-3-30-54-37-45-27-24-44(31-39-25-28-46(53-2)29-26-39)32-47(45)49-51(57-35-42-20-12-6-13-21-42)52(58-36-43-22-14-7-15-23-43)50(56-34-41-18-10-5-11-19-41)48(59-49)38-55-33-40-16-8-4-9-17-40/h3-29,32,48-52H,1,30-31,33-38H2,2H3/t48-,49+,50-,51?,52+/m1/s1
InChIKeyNFVQBHSGOOUZMZ-QISSHCBFSA-N
XLogP10.40
TPSA64.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds21
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500791.00
LogP ≤ 510.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze (2S,3S,4R,5R,6R)-2-[5-[(4-methoxyphenyl)methyl]-2-(prop-2-enoxymethyl)phenyl]-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S,3S,4R,5R,6R)-2-ethenyl-3-[(4-methoxyphenyl)methoxy]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 25169660
(2R,3S,4S,5R,6R)-2-[(1R,2R,3S,4S,5R,6S)-2-[(4-methoxyphenyl)methoxy]-4,5,6-tris(phenylmethoxy)-3-prop-2-enoxycyclohexyl]oxy-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 11217034
(2S,3S,4R,5R,6R)-2-[4-chloro-3-[(4-methoxyphenyl)methyl]phenyl]-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 59899439
(1R,2R,3S,4S,5R,6S)-2-[(4-methoxyphenyl)methoxy]-4,5,6-tris(phenylmethoxy)-3-prop-2-enoxy-1-[(2S,3S,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]cyclohexan-1-ol
CID 101361198
(2S,3R,4S,5R,6R)-3-[(4-methoxyphenyl)methoxy]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-ol
CID 171125035
(2S,3R,4S,5S,6R)-2-fluoro-4-[(4-methoxyphenyl)methoxy]-3,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 10951949
(2R,3R,4S,5R,6R)-2-[[(2R,3S,4S,5R,6R)-3-[(4-methoxyphenyl)methoxy]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxymethyl]-3,4,5,6-tetrakis(phenylmethoxy)oxane
CID 10887663
(2R,3R,4R,5S,6R)-5-[(4-methoxyphenyl)methoxy]-N-phenyl-4-phenylmethoxy-6-(phenylmethoxymethyl)-2-prop-2-enoxyoxan-3-amine
CID 100969791
[(2R,3S,4S,5R,6S)-6-[(2R,3R,4S,5R,6S)-6-(4-methoxyphenoxy)-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxan-3-yl]oxy-3,5-bis(phenylmethoxy)-4-prop-2-enoxyoxan-2-yl]methanol
CID 10898315
(2R,3R,4S,5S,6R)-3-[(4-methoxyphenyl)methoxy]-2-methylsulfanyl-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 10864943
1-methoxy-4-[[(1R,2R,3S,4S,5R,6S)-2,4,5-tris(phenylmethoxy)-3,6-bis(prop-2-enoxy)cyclohexyl]oxymethyl]benzene
CID 10604284
1-methoxy-4-[[(1S,2R,3R,4S,5S,6R)-2,3,6-tris(phenylmethoxy)-4,5-bis(prop-2-enoxy)cyclohexyl]oxymethyl]benzene
CID 11966709

Frequently Asked Questions

What is the IUPAC name of (2S,3S,4R,5R,6R)-2-[5-[(4-methoxyphenyl)methyl]-2-(prop-2-enoxymethyl)phenyl]-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane?
The IUPAC name of (2S,3S,4R,5R,6R)-2-[5-[(4-methoxyphenyl)methyl]-2-(prop-2-enoxymethyl)phenyl]-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane (CID 89453284) is (2S,3S,4R,5R,6R)-2-[5-[(4-methoxyphenyl)methyl]-2-(prop-2-enoxymethyl)phenyl]-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane.
What is the SMILES notation for (2S,3S,4R,5R,6R)-2-[5-[(4-methoxyphenyl)methyl]-2-(prop-2-enoxymethyl)phenyl]-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane?
The canonical SMILES for (2S,3S,4R,5R,6R)-2-[5-[(4-methoxyphenyl)methyl]-2-(prop-2-enoxymethyl)phenyl]-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane is C=CCOCc1ccc(Cc2ccc(OC)cc2)cc1[C@@H]1O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)C1OCc1ccccc1.
What is the InChIKey of (2S,3S,4R,5R,6R)-2-[5-[(4-methoxyphenyl)methyl]-2-(prop-2-enoxymethyl)phenyl]-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane?
The InChIKey is NFVQBHSGOOUZMZ-QISSHCBFSA-N. The full InChI is InChI=1S/C52H54O7/c1-3-30-54-37-45-27-24-44(31-39-25-28-46(53-2)29-26-39)32-47(45)49-51(57-35-42-20-12-6-13-21-42)52(58-36-43-22-14-7-15-23-43)50(56-34-41-18-10-5-11-19-41)48(59-49)38-55-33-40-16-8-4-9-17-40/h3-29,32,48-52H,1,30-31,33-38H2,2H3/t48-,49+,50-,51?,52+/m1/s1.
What are the key properties of (2S,3S,4R,5R,6R)-2-[5-[(4-methoxyphenyl)methyl]-2-(prop-2-enoxymethyl)phenyl]-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane?
(2S,3S,4R,5R,6R)-2-[5-[(4-methoxyphenyl)methyl]-2-(prop-2-enoxymethyl)phenyl]-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane has a molecular weight of 791.00 g/mol, XLogP of 10.40, 21 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4R,5R,6R)-2-[5-[(4-methoxyphenyl)methyl]-2-(prop-2-enoxymethyl)phenyl]-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane is sourced from PubChem (CID 89453284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).