[(E)-[(3S,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-ylidene]methyl] acetate

C30H32O7 — CID 10839231

IUPAC[(E)-[(3S,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-ylidene]methyl] acetate
SMILESCO[C@H]1O/C(=C/OC(C)=O)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1
InChIInChI=1S/C30H32O7/c1-22(31)33-21-26-27(34-18-23-12-6-3-7-13-23)28(35-19-24-14-8-4-9-15-24)29(30(32-2)37-26)36-20-25-16-10-5-11-17-25/h3-17,21,27-30H,18-20H2,1-2H3/b26-21+/t27-,28+,29-,30+/m1/s1
InChIKeyOEDHUQCWQOCUCM-CXQQLJNSSA-N
MW504.58 g/mol
LogP5.15
Rot. Bonds11

About [(E)-[(3S,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-ylidene]methyl] acetate

[(E)-[(3S,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-ylidene]methyl] acetate (PubChem CID 10839231) has the molecular formula C30H32O7 and a molecular weight of 504.58 g/mol. Its IUPAC name is [(E)-[(3S,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-ylidene]methyl] acetate.

Molecular Properties

Compound Name[(E)-[(3S,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-ylidene]methyl] acetate
PubChem CID10839231
Molecular FormulaC30H32O7
Molecular Weight504.58 g/mol
Exact Mass504.21
IUPAC Name[(E)-[(3S,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-ylidene]methyl] acetate
SMILESCO[C@H]1O/C(=C/OC(C)=O)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1
InChIInChI=1S/C30H32O7/c1-22(31)33-21-26-27(34-18-23-12-6-3-7-13-23)28(35-19-24-14-8-4-9-15-24)29(30(32-2)37-26)36-20-25-16-10-5-11-17-25/h3-17,21,27-30H,18-20H2,1-2H3/b26-21+/t27-,28+,29-,30+/m1/s1
InChIKeyOEDHUQCWQOCUCM-CXQQLJNSSA-N
XLogP5.15
TPSA72.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.58
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze [(E)-[(3S,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-ylidene]methyl] acetate 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

[6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-ylidene]methyl acetate
CID 73106838
[(Z)-[(3S,4S,5R,6S)-6-methoxy-3,5-bis[(4-methoxyphenyl)methoxy]-4-phenylmethoxyoxan-2-ylidene]methyl] acetate
CID 10875433
(3S,4S,5R,6S)-2-(difluoromethylidene)-6-methoxy-3,4,5-tris(phenylmethoxy)oxane
CID 162538393
[(2R,3R,4S,5R)-6-oxo-3,4,5-tris(phenylmethoxy)oxan-2-yl] acetate
CID 155351672
(2S,3R,4S,5S)-2-methoxy-4,5-bis(methoxymethoxy)-6-methylidene-3-phenylmethoxyoxane
CID 10247548
(2S,3R,4S,5S)-5-[(2-iodophenyl)methoxy]-2-methoxy-6-methylidene-3,4-bis(phenylmethoxy)oxane
CID 15331362
(2R,3S,4S,5R,6R)-5-acetyloxy-3-hydroxy-6-methoxy-4-phenylmethoxyoxane-2-carboxylic acid
CID 10042847
[(2R,3S,4R,5R,6R)-2,6-diacetyloxy-4,5-bis(phenylmethoxy)oxan-3-yl] acetate
CID 11754556
benzyl (2S,3R,4R,5S,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxane-2-carboxylate
CID 171395752
(2R,3R,4R,5S,6S)-2,4,5-trimethoxy-6-methyl-3-phenylmethoxyoxane
CID 11500331
[(2R,3R,4R,5S,6Z)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethylidene)oxan-2-yl]methanamine
CID 163810203
2-methoxy-1-[(2S,3S,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]ethanone
CID 71619662

Frequently Asked Questions

What is the IUPAC name of [(E)-[(3S,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-ylidene]methyl] acetate?
The IUPAC name of [(E)-[(3S,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-ylidene]methyl] acetate (CID 10839231) is [(E)-[(3S,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-ylidene]methyl] acetate.
What is the SMILES notation for [(E)-[(3S,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-ylidene]methyl] acetate?
The canonical SMILES for [(E)-[(3S,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-ylidene]methyl] acetate is CO[C@H]1O/C(=C/OC(C)=O)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1.
What is the InChIKey of [(E)-[(3S,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-ylidene]methyl] acetate?
The InChIKey is OEDHUQCWQOCUCM-CXQQLJNSSA-N. The full InChI is InChI=1S/C30H32O7/c1-22(31)33-21-26-27(34-18-23-12-6-3-7-13-23)28(35-19-24-14-8-4-9-15-24)29(30(32-2)37-26)36-20-25-16-10-5-11-17-25/h3-17,21,27-30H,18-20H2,1-2H3/b26-21+/t27-,28+,29-,30+/m1/s1.
What are the key properties of [(E)-[(3S,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-ylidene]methyl] acetate?
[(E)-[(3S,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-ylidene]methyl] acetate has a molecular weight of 504.58 g/mol, XLogP of 5.15, 11 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-[(3S,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-ylidene]methyl] acetate is sourced from PubChem (CID 10839231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).