[(2R,3R,4R,5S,6S)-6-acetyloxy-1,3,4,5-tetrakis(phenylmethoxy)oct-7-en-2-yl] acetate

C40H44O8 — CID 24857975

IUPAC[(2R,3R,4R,5S,6S)-6-acetyloxy-1,3,4,5-tetrakis(phenylmethoxy)oct-7-en-2-yl] acetate
SMILESC=C[C@H](OC(C)=O)[C@H](OCc1ccccc1)[C@@H](OCc1ccccc1)[C@H](OCc1ccccc1)[C@@H](COCc1ccccc1)OC(C)=O
InChIInChI=1S/C40H44O8/c1-4-36(47-30(2)41)38(44-26-33-19-11-6-12-20-33)40(46-28-35-23-15-8-16-24-35)39(45-27-34-21-13-7-14-22-34)37(48-31(3)42)29-43-25-32-17-9-5-10-18-32/h4-24,36-40H,1,25-29H2,2-3H3/t36-,37+,38-,39+,40+/m0/s1
InChIKeyFMOCWSUXTQMIHE-WBHVZLLVSA-N
MW652.78 g/mol
LogP7.01
Rot. Bonds20

About [(2R,3R,4R,5S,6S)-6-acetyloxy-1,3,4,5-tetrakis(phenylmethoxy)oct-7-en-2-yl] acetate

[(2R,3R,4R,5S,6S)-6-acetyloxy-1,3,4,5-tetrakis(phenylmethoxy)oct-7-en-2-yl] acetate (PubChem CID 24857975) has the molecular formula C40H44O8 and a molecular weight of 652.78 g/mol. Its IUPAC name is [(2R,3R,4R,5S,6S)-6-acetyloxy-1,3,4,5-tetrakis(phenylmethoxy)oct-7-en-2-yl] acetate.

Molecular Properties

Compound Name[(2R,3R,4R,5S,6S)-6-acetyloxy-1,3,4,5-tetrakis(phenylmethoxy)oct-7-en-2-yl] acetate
PubChem CID24857975
Molecular FormulaC40H44O8
Molecular Weight652.78 g/mol
Exact Mass652.30
IUPAC Name[(2R,3R,4R,5S,6S)-6-acetyloxy-1,3,4,5-tetrakis(phenylmethoxy)oct-7-en-2-yl] acetate
SMILESC=C[C@H](OC(C)=O)[C@H](OCc1ccccc1)[C@@H](OCc1ccccc1)[C@H](OCc1ccccc1)[C@@H](COCc1ccccc1)OC(C)=O
InChIInChI=1S/C40H44O8/c1-4-36(47-30(2)41)38(44-26-33-19-11-6-12-20-33)40(46-28-35-23-15-8-16-24-35)39(45-27-34-21-13-7-14-22-34)37(48-31(3)42)29-43-25-32-17-9-5-10-18-32/h4-24,36-40H,1,25-29H2,2-3H3/t36-,37+,38-,39+,40+/m0/s1
InChIKeyFMOCWSUXTQMIHE-WBHVZLLVSA-N
XLogP7.01
TPSA89.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds20
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500652.78
LogP ≤ 57.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze [(2R,3R,4R,5S,6S)-6-acetyloxy-1,3,4,5-tetrakis(phenylmethoxy)oct-7-en-2-yl] acetate with MolForge

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Related Compounds

[(2R,3R)-4-hydroxy-1,3-bis(phenylmethoxy)hex-5-en-2-yl] acetate
CID 101392493
[(5S,6S,7S,8R)-6,7,8-tris(phenylmethoxy)deca-1,9-dien-5-yl] acetate
CID 15498900
[(1R,2S)-2-phenylmethoxy-1-[(1S,2R)-1,2,3-tris(phenylmethoxy)propyl]but-3-enoxy]methylbenzene
CID 101489173
[(2R,3S,4S)-2,3,4-triacetyloxy-5-phenylmethoxypentyl] acetate
CID 101133703
[(2S,3S)-3-hydroxy-1,4-bis(phenylmethoxy)butan-2-yl] acetate
CID 101029598
[(E)-5-acetyloxy-2,4,6-tris(phenylmethoxy)hex-2-enyl] acetate
CID 14312025
[(5R,6S,7R,8R)-8-[tert-butyl(dimethyl)silyl]oxy-6,7-bis(phenylmethoxy)deca-1,9-dien-5-yl] acetate
CID 10697681
2,3,4,5,6-pentakis(phenylmethoxy)hexanal
CID 14131714
(2R,3S,4R,5S)-1,3,4,5-tetrakis(phenylmethoxy)hept-6-en-2-ol
CID 11827633
(2R,3S,4R,5R)-2,3,4,5,6-pentakis(phenylmethoxy)hexanal
CID 11814226
[(1S,2R,3R)-1-[(1S)-1,2-bis(phenylmethoxy)ethyl]-2,3,4-tris(phenylmethoxy)butoxy]methylbenzene
CID 99647470
[(3S,4R)-4-methyl-1-phenylmethoxyhex-5-en-3-yl] acetate
CID 15942144

Frequently Asked Questions

What is the IUPAC name of [(2R,3R,4R,5S,6S)-6-acetyloxy-1,3,4,5-tetrakis(phenylmethoxy)oct-7-en-2-yl] acetate?
The IUPAC name of [(2R,3R,4R,5S,6S)-6-acetyloxy-1,3,4,5-tetrakis(phenylmethoxy)oct-7-en-2-yl] acetate (CID 24857975) is [(2R,3R,4R,5S,6S)-6-acetyloxy-1,3,4,5-tetrakis(phenylmethoxy)oct-7-en-2-yl] acetate.
What is the SMILES notation for [(2R,3R,4R,5S,6S)-6-acetyloxy-1,3,4,5-tetrakis(phenylmethoxy)oct-7-en-2-yl] acetate?
The canonical SMILES for [(2R,3R,4R,5S,6S)-6-acetyloxy-1,3,4,5-tetrakis(phenylmethoxy)oct-7-en-2-yl] acetate is C=C[C@H](OC(C)=O)[C@H](OCc1ccccc1)[C@@H](OCc1ccccc1)[C@H](OCc1ccccc1)[C@@H](COCc1ccccc1)OC(C)=O.
What is the InChIKey of [(2R,3R,4R,5S,6S)-6-acetyloxy-1,3,4,5-tetrakis(phenylmethoxy)oct-7-en-2-yl] acetate?
The InChIKey is FMOCWSUXTQMIHE-WBHVZLLVSA-N. The full InChI is InChI=1S/C40H44O8/c1-4-36(47-30(2)41)38(44-26-33-19-11-6-12-20-33)40(46-28-35-23-15-8-16-24-35)39(45-27-34-21-13-7-14-22-34)37(48-31(3)42)29-43-25-32-17-9-5-10-18-32/h4-24,36-40H,1,25-29H2,2-3H3/t36-,37+,38-,39+,40+/m0/s1.
What are the key properties of [(2R,3R,4R,5S,6S)-6-acetyloxy-1,3,4,5-tetrakis(phenylmethoxy)oct-7-en-2-yl] acetate?
[(2R,3R,4R,5S,6S)-6-acetyloxy-1,3,4,5-tetrakis(phenylmethoxy)oct-7-en-2-yl] acetate has a molecular weight of 652.78 g/mol, XLogP of 7.01, 20 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R,4R,5S,6S)-6-acetyloxy-1,3,4,5-tetrakis(phenylmethoxy)oct-7-en-2-yl] acetate is sourced from PubChem (CID 24857975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).