(3R)-3-[(2R,3R,5R,6R)-3-hydroxy-5-phenylmethoxy-6-(phenylmethoxymethyl)oxan-2-yl]-3-[(4-methoxyphenyl)methoxy]propanal

C31H36O7 — CID 11191617

IUPAC(3R)-3-[(2R,3R,5R,6R)-3-hydroxy-5-phenylmethoxy-6-(phenylmethoxymethyl)oxan-2-yl]-3-[(4-methoxyphenyl)methoxy]propanal
SMILESCOc1ccc(CO[C@H](CC=O)[C@@H]2O[C@H](COCc3ccccc3)[C@H](OCc3ccccc3)C[C@H]2O)cc1
InChIInChI=1S/C31H36O7/c1-34-26-14-12-25(13-15-26)21-36-28(16-17-32)31-27(33)18-29(37-20-24-10-6-3-7-11-24)30(38-31)22-35-19-23-8-4-2-5-9-23/h2-15,17,27-31,33H,16,18-22H2,1H3/t27-,28-,29-,30-,31-/m1/s1
InChIKeyUQVJWRLEOPBOSG-JQWMYKLHSA-N
MW520.62 g/mol
LogP4.49
Rot. Bonds14

About (3R)-3-[(2R,3R,5R,6R)-3-hydroxy-5-phenylmethoxy-6-(phenylmethoxymethyl)oxan-2-yl]-3-[(4-methoxyphenyl)methoxy]propanal

(3R)-3-[(2R,3R,5R,6R)-3-hydroxy-5-phenylmethoxy-6-(phenylmethoxymethyl)oxan-2-yl]-3-[(4-methoxyphenyl)methoxy]propanal (PubChem CID 11191617) has the molecular formula C31H36O7 and a molecular weight of 520.62 g/mol. Its IUPAC name is (3R)-3-[(2R,3R,5R,6R)-3-hydroxy-5-phenylmethoxy-6-(phenylmethoxymethyl)oxan-2-yl]-3-[(4-methoxyphenyl)methoxy]propanal.

Molecular Properties

Compound Name(3R)-3-[(2R,3R,5R,6R)-3-hydroxy-5-phenylmethoxy-6-(phenylmethoxymethyl)oxan-2-yl]-3-[(4-methoxyphenyl)methoxy]propanal
PubChem CID11191617
Molecular FormulaC31H36O7
Molecular Weight520.62 g/mol
Exact Mass520.25
IUPAC Name(3R)-3-[(2R,3R,5R,6R)-3-hydroxy-5-phenylmethoxy-6-(phenylmethoxymethyl)oxan-2-yl]-3-[(4-methoxyphenyl)methoxy]propanal
SMILESCOc1ccc(CO[C@H](CC=O)[C@@H]2O[C@H](COCc3ccccc3)[C@H](OCc3ccccc3)C[C@H]2O)cc1
InChIInChI=1S/C31H36O7/c1-34-26-14-12-25(13-15-26)21-36-28(16-17-32)31-27(33)18-29(37-20-24-10-6-3-7-11-24)30(38-31)22-35-19-23-8-4-2-5-9-23/h2-15,17,27-31,33H,16,18-22H2,1H3/t27-,28-,29-,30-,31-/m1/s1
InChIKeyUQVJWRLEOPBOSG-JQWMYKLHSA-N
XLogP4.49
TPSA83.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.62
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

(2S,3R,4S,5R,6R)-3-[(4-methoxyphenyl)methoxy]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-ol
CID 171125035
1-[(2S,3R,4S,5S,6R)-3-[(4-methoxyphenyl)methoxy]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]ethane-1,2-diol
CID 25170284
(2R,3R,4S,5S,6R)-3,4-dimethoxy-6-[(4-methoxyphenyl)methoxymethyl]-5-phenylmethoxyoxan-2-ol
CID 171123644
(2R,4R,5R)-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolane-2-carbaldehyde
CID 134841401
[(2S,3R,5S,6R)-2-deuterio-6-[(4-methoxyphenyl)methoxymethyl]-5-phenylmethoxyoxan-3-yl] acetate
CID 53243071
(2R,3R,4S,5S,6R)-3-[(4-methoxyphenyl)methoxy]-2-methylsulfanyl-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 10864943
(2S,3R,4S,5S,6R)-2-fluoro-4-[(4-methoxyphenyl)methoxy]-3,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 10951949
(1S,2S,3R,5R)-3-[(4-methoxyphenyl)methoxy]-2-(phenylmethoxymethyl)-6-oxabicyclo[3.1.0]hexane
CID 88524591
2-[(2S,3R,4R,5S,6R)-2-(4-methoxyphenyl)sulfanyl-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]acetaldehyde
CID 101352639
(1R)-1-(4-methoxyphenyl)-2-[(2R,4R,5S,6R)-5-methyl-4-phenylmethoxy-6-(phenylmethoxymethyl)oxan-2-yl]ethanol
CID 11167459
(2S,3S,4R,5R,6R)-2-ethenyl-3-[(4-methoxyphenyl)methoxy]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 25169660
(2R,3R,4R,5S,6R)-3-(4-methoxyanilino)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-ol
CID 171124334

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(2R,3R,5R,6R)-3-hydroxy-5-phenylmethoxy-6-(phenylmethoxymethyl)oxan-2-yl]-3-[(4-methoxyphenyl)methoxy]propanal?
The IUPAC name of (3R)-3-[(2R,3R,5R,6R)-3-hydroxy-5-phenylmethoxy-6-(phenylmethoxymethyl)oxan-2-yl]-3-[(4-methoxyphenyl)methoxy]propanal (CID 11191617) is (3R)-3-[(2R,3R,5R,6R)-3-hydroxy-5-phenylmethoxy-6-(phenylmethoxymethyl)oxan-2-yl]-3-[(4-methoxyphenyl)methoxy]propanal.
What is the SMILES notation for (3R)-3-[(2R,3R,5R,6R)-3-hydroxy-5-phenylmethoxy-6-(phenylmethoxymethyl)oxan-2-yl]-3-[(4-methoxyphenyl)methoxy]propanal?
The canonical SMILES for (3R)-3-[(2R,3R,5R,6R)-3-hydroxy-5-phenylmethoxy-6-(phenylmethoxymethyl)oxan-2-yl]-3-[(4-methoxyphenyl)methoxy]propanal is COc1ccc(CO[C@H](CC=O)[C@@H]2O[C@H](COCc3ccccc3)[C@H](OCc3ccccc3)C[C@H]2O)cc1.
What is the InChIKey of (3R)-3-[(2R,3R,5R,6R)-3-hydroxy-5-phenylmethoxy-6-(phenylmethoxymethyl)oxan-2-yl]-3-[(4-methoxyphenyl)methoxy]propanal?
The InChIKey is UQVJWRLEOPBOSG-JQWMYKLHSA-N. The full InChI is InChI=1S/C31H36O7/c1-34-26-14-12-25(13-15-26)21-36-28(16-17-32)31-27(33)18-29(37-20-24-10-6-3-7-11-24)30(38-31)22-35-19-23-8-4-2-5-9-23/h2-15,17,27-31,33H,16,18-22H2,1H3/t27-,28-,29-,30-,31-/m1/s1.
What are the key properties of (3R)-3-[(2R,3R,5R,6R)-3-hydroxy-5-phenylmethoxy-6-(phenylmethoxymethyl)oxan-2-yl]-3-[(4-methoxyphenyl)methoxy]propanal?
(3R)-3-[(2R,3R,5R,6R)-3-hydroxy-5-phenylmethoxy-6-(phenylmethoxymethyl)oxan-2-yl]-3-[(4-methoxyphenyl)methoxy]propanal has a molecular weight of 520.62 g/mol, XLogP of 4.49, 14 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(2R,3R,5R,6R)-3-hydroxy-5-phenylmethoxy-6-(phenylmethoxymethyl)oxan-2-yl]-3-[(4-methoxyphenyl)methoxy]propanal is sourced from PubChem (CID 11191617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).