[(2R)-2-benzoyloxy-2-[(2S,3S,4R,5R)-3,4-dibenzoyloxy-5-phosphonooxyoxolan-2-yl]ethyl] benzoate

C34H29O13P — CID 10055296

IUPAC[(2R)-2-benzoyloxy-2-[(2S,3S,4R,5R)-3,4-dibenzoyloxy-5-phosphonooxyoxolan-2-yl]ethyl] benzoate
SMILESO=C(OC[C@@H](OC(=O)c1ccccc1)[C@@H]1O[C@H](OP(=O)(O)O)[C@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C34H29O13P/c35-30(22-13-5-1-6-14-22)42-21-26(43-31(36)23-15-7-2-8-16-23)27-28(44-32(37)24-17-9-3-10-18-24)29(34(46-27)47-48(39,40)41)45-33(38)25-19-11-4-12-20-25/h1-20,26-29,34H,21H2,(H2,39,40,41)/t26-,27+,28+,29-,34-/m1/s1
InChIKeyUPOFDPVUFRFWSX-KHSPHJBMSA-N
MW676.57 g/mol
LogP4.35
Rot. Bonds12

About [(2R)-2-benzoyloxy-2-[(2S,3S,4R,5R)-3,4-dibenzoyloxy-5-phosphonooxyoxolan-2-yl]ethyl] benzoate

[(2R)-2-benzoyloxy-2-[(2S,3S,4R,5R)-3,4-dibenzoyloxy-5-phosphonooxyoxolan-2-yl]ethyl] benzoate (PubChem CID 10055296) has the molecular formula C34H29O13P and a molecular weight of 676.57 g/mol. Its IUPAC name is [(2R)-2-benzoyloxy-2-[(2S,3S,4R,5R)-3,4-dibenzoyloxy-5-phosphonooxyoxolan-2-yl]ethyl] benzoate.

Molecular Properties

Compound Name[(2R)-2-benzoyloxy-2-[(2S,3S,4R,5R)-3,4-dibenzoyloxy-5-phosphonooxyoxolan-2-yl]ethyl] benzoate
PubChem CID10055296
Molecular FormulaC34H29O13P
Molecular Weight676.57 g/mol
Exact Mass676.13
IUPAC Name[(2R)-2-benzoyloxy-2-[(2S,3S,4R,5R)-3,4-dibenzoyloxy-5-phosphonooxyoxolan-2-yl]ethyl] benzoate
SMILESO=C(OC[C@@H](OC(=O)c1ccccc1)[C@@H]1O[C@H](OP(=O)(O)O)[C@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C34H29O13P/c35-30(22-13-5-1-6-14-22)42-21-26(43-31(36)23-15-7-2-8-16-23)27-28(44-32(37)24-17-9-3-10-18-24)29(34(46-27)47-48(39,40)41)45-33(38)25-19-11-4-12-20-25/h1-20,26-29,34H,21H2,(H2,39,40,41)/t26-,27+,28+,29-,34-/m1/s1
InChIKeyUPOFDPVUFRFWSX-KHSPHJBMSA-N
XLogP4.35
TPSA181.19 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds12
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500676.57
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze [(2R)-2-benzoyloxy-2-[(2S,3S,4R,5R)-3,4-dibenzoyloxy-5-phosphonooxyoxolan-2-yl]ethyl] benzoate 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

[3,4-dibenzoyloxy-5-(1,2-dibenzoyloxyethyl)oxolan-2-yl] 4-[hydroxy(oxido)amino]benzoate
CID 163141966
[(2R,3R,4S,5S,6R)-3,5-dibenzoyloxy-2-[(1R)-1-benzoyloxy-2-diphenoxyphosphoryloxyethyl]-6-diphenoxyphosphoryloxyoxan-4-yl] benzoate
CID 154592526
[(2R)-2-benzoyloxy-2-[(2S,3S,4S,5S)-3,4-dibenzoyloxy-5-cyanooxolan-2-yl]ethyl] benzoate
CID 11342458
[(2S)-2-benzoyloxy-2-[(2S,3S,4R,5S)-3,4-dibenzoyloxy-5-(2,2,2-trichloroethanimidoyl)oxyoxolan-2-yl]ethyl] benzoate
CID 101236756
[(2R,3R,4S,5S,6R)-3,4,5-tribenzoyloxy-6-phosphonooxyoxan-2-yl]methyl benzoate
CID 170356830
[(2R,3R,4S,5S)-3,4,5-tribenzoyloxy-6-phosphonooxyoxan-2-yl]methyl benzoate
CID 101441942
[(2R,3S,4R,5R)-5-acetyloxy-4-benzoyloxy-2-[(1S)-1-benzoyloxy-2-hydroxyethyl]oxolan-3-yl] benzoate
CID 70023241
[(2R)-2-[(2S,3S,4R,5R)-5-[(1R)-1-[(2S,3S,4R)-3-acetyloxy-4-(2,2-dimethylpropanoyloxy)-5-hydroxyoxolan-2-yl]-2-(2,2-dimethylpropanoyloxy)ethoxy]-3,4-dibenzoyloxyoxolan-2-yl]-2-benzoyloxyethyl] benzoate
CID 11007560
[(2R,3R,4S,5S)-3,4-dibenzoyloxy-5-[(1R)-2-[(2R,3R,4S,5S)-3,4-dibenzoyloxy-5-[(1R)-1,2-dibenzoyloxyethyl]oxolan-2-yl]oxy-1-[(2S,3S,4R)-3,4-dibenzoyloxy-5-oxooxolan-2-yl]ethoxy]oxolan-2-yl]methyl benzoate
CID 177430748
[(2R)-2-benzoyloxy-2-[(2S,3R)-3-benzoyloxy-2,3-dihydrofuran-2-yl]ethyl] benzoate
CID 10939443
[(2R)-2-benzoyloxy-2-[(2S,3S,4R,5R)-3,4-dibenzoyloxy-5-[(5S)-5-methoxy-2-sulfanylideneimidazolidin-1-yl]oxolan-2-yl]ethyl] benzoate
CID 101118074
[(2S,3S,4R,5R)-4-benzoyloxy-2-[(1R)-1-benzoyloxy-2-hydroxyethyl]-5-hydroxyoxolan-3-yl] benzoate
CID 90941981

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-benzoyloxy-2-[(2S,3S,4R,5R)-3,4-dibenzoyloxy-5-phosphonooxyoxolan-2-yl]ethyl] benzoate?
The IUPAC name of [(2R)-2-benzoyloxy-2-[(2S,3S,4R,5R)-3,4-dibenzoyloxy-5-phosphonooxyoxolan-2-yl]ethyl] benzoate (CID 10055296) is [(2R)-2-benzoyloxy-2-[(2S,3S,4R,5R)-3,4-dibenzoyloxy-5-phosphonooxyoxolan-2-yl]ethyl] benzoate.
What is the SMILES notation for [(2R)-2-benzoyloxy-2-[(2S,3S,4R,5R)-3,4-dibenzoyloxy-5-phosphonooxyoxolan-2-yl]ethyl] benzoate?
The canonical SMILES for [(2R)-2-benzoyloxy-2-[(2S,3S,4R,5R)-3,4-dibenzoyloxy-5-phosphonooxyoxolan-2-yl]ethyl] benzoate is O=C(OC[C@@H](OC(=O)c1ccccc1)[C@@H]1O[C@H](OP(=O)(O)O)[C@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of [(2R)-2-benzoyloxy-2-[(2S,3S,4R,5R)-3,4-dibenzoyloxy-5-phosphonooxyoxolan-2-yl]ethyl] benzoate?
The InChIKey is UPOFDPVUFRFWSX-KHSPHJBMSA-N. The full InChI is InChI=1S/C34H29O13P/c35-30(22-13-5-1-6-14-22)42-21-26(43-31(36)23-15-7-2-8-16-23)27-28(44-32(37)24-17-9-3-10-18-24)29(34(46-27)47-48(39,40)41)45-33(38)25-19-11-4-12-20-25/h1-20,26-29,34H,21H2,(H2,39,40,41)/t26-,27+,28+,29-,34-/m1/s1.
What are the key properties of [(2R)-2-benzoyloxy-2-[(2S,3S,4R,5R)-3,4-dibenzoyloxy-5-phosphonooxyoxolan-2-yl]ethyl] benzoate?
[(2R)-2-benzoyloxy-2-[(2S,3S,4R,5R)-3,4-dibenzoyloxy-5-phosphonooxyoxolan-2-yl]ethyl] benzoate has a molecular weight of 676.57 g/mol, XLogP of 4.35, 12 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-benzoyloxy-2-[(2S,3S,4R,5R)-3,4-dibenzoyloxy-5-phosphonooxyoxolan-2-yl]ethyl] benzoate is sourced from PubChem (CID 10055296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).