[(2R,3R,5R)-2-methoxy-5-(trityloxymethyl)oxolan-3-yl] benzoate

C32H30O5 — CID 178184680

IUPAC[(2R,3R,5R)-2-methoxy-5-(trityloxymethyl)oxolan-3-yl] benzoate
SMILESCO[C@@H]1O[C@@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)C[C@H]1OC(=O)c1ccccc1
InChIInChI=1S/C32H30O5/c1-34-31-29(37-30(33)24-14-6-2-7-15-24)22-28(36-31)23-35-32(25-16-8-3-9-17-25,26-18-10-4-11-19-26)27-20-12-5-13-21-27/h2-21,28-29,31H,22-23H2,1H3/t28-,29-,31-/m1/s1
InChIKeyOSNQTYJCSFOLAX-QPWMFTQFSA-N
MW494.59 g/mol
LogP5.98
Rot. Bonds9

About [(2R,3R,5R)-2-methoxy-5-(trityloxymethyl)oxolan-3-yl] benzoate

[(2R,3R,5R)-2-methoxy-5-(trityloxymethyl)oxolan-3-yl] benzoate (PubChem CID 178184680) has the molecular formula C32H30O5 and a molecular weight of 494.59 g/mol. Its IUPAC name is [(2R,3R,5R)-2-methoxy-5-(trityloxymethyl)oxolan-3-yl] benzoate.

Molecular Properties

Compound Name[(2R,3R,5R)-2-methoxy-5-(trityloxymethyl)oxolan-3-yl] benzoate
PubChem CID178184680
Molecular FormulaC32H30O5
Molecular Weight494.59 g/mol
Exact Mass494.21
IUPAC Name[(2R,3R,5R)-2-methoxy-5-(trityloxymethyl)oxolan-3-yl] benzoate
SMILESCO[C@@H]1O[C@@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)C[C@H]1OC(=O)c1ccccc1
InChIInChI=1S/C32H30O5/c1-34-31-29(37-30(33)24-14-6-2-7-15-24)22-28(36-31)23-35-32(25-16-8-3-9-17-25,26-18-10-4-11-19-26)27-20-12-5-13-21-27/h2-21,28-29,31H,22-23H2,1H3/t28-,29-,31-/m1/s1
InChIKeyOSNQTYJCSFOLAX-QPWMFTQFSA-N
XLogP5.98
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.59
LogP ≤ 55.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

[(2S,4R,5R)-4-benzoyloxy-5-methoxyoxolan-2-yl]methyl benzoate
CID 101010370
(2R,3R,5R)-2-methoxy-5-(trityloxymethyl)oxolan-3-ol
CID 178184681
[(2R,3S,4S,5R,6S)-4,5-dibenzoyloxy-6-methoxy-2-(trityloxymethyl)oxan-3-yl] benzoate
CID 14680757
[(3R,4R,5S)-4,5-dibenzoyloxy-6-methoxy-2-(trityloxymethyl)oxan-3-yl] benzoate
CID 45050711
[(2R,3R,4S,5S,6S)-4,5-dibenzoyloxy-6-methoxy-2-(trityloxymethyl)oxan-3-yl] benzoate
CID 10941667
[(2R,3S,4S)-4,5-dibenzoyloxy-2-(trityloxymethyl)oxolan-3-yl] benzoate
CID 141052027
[5-azido-3-benzoyloxy-2-methoxy-6-(trityloxymethyl)oxan-4-yl] benzoate
CID 4294802
[(2S,3R,4R,5R,6R)-5-(benzenesulfonyloxy)-3-benzoyloxy-2-methoxy-6-(trityloxymethyl)oxan-4-yl] benzoate
CID 44631276
[(2R,3R,4S,5S,6R)-3,5-diacetyloxy-2-[(2R,3R,4S,5S,6R)-3,5-diacetyloxy-4-benzoyloxy-6-(trityloxymethyl)oxan-2-yl]oxy-6-(trityloxymethyl)oxan-4-yl] benzoate
CID 101133692
[(2R,3R,4S,5R)-4,5-dibenzoyloxy-6-hydroxy-2-(trityloxymethyl)oxan-3-yl] benzoate
CID 101007774
[(2S,4S,5R,6R)-4,5-dibenzoyloxy-6-bromooxyoxan-2-yl]methyl benzoate
CID 67631238
[(2S,3R,4S,5R)-4,5-dibenzoyloxy-6-hydroxy-2-(trityloxymethyl)oxan-3-yl] benzoate
CID 171124517

Frequently Asked Questions

What is the IUPAC name of [(2R,3R,5R)-2-methoxy-5-(trityloxymethyl)oxolan-3-yl] benzoate?
The IUPAC name of [(2R,3R,5R)-2-methoxy-5-(trityloxymethyl)oxolan-3-yl] benzoate (CID 178184680) is [(2R,3R,5R)-2-methoxy-5-(trityloxymethyl)oxolan-3-yl] benzoate.
What is the SMILES notation for [(2R,3R,5R)-2-methoxy-5-(trityloxymethyl)oxolan-3-yl] benzoate?
The canonical SMILES for [(2R,3R,5R)-2-methoxy-5-(trityloxymethyl)oxolan-3-yl] benzoate is CO[C@@H]1O[C@@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)C[C@H]1OC(=O)c1ccccc1.
What is the InChIKey of [(2R,3R,5R)-2-methoxy-5-(trityloxymethyl)oxolan-3-yl] benzoate?
The InChIKey is OSNQTYJCSFOLAX-QPWMFTQFSA-N. The full InChI is InChI=1S/C32H30O5/c1-34-31-29(37-30(33)24-14-6-2-7-15-24)22-28(36-31)23-35-32(25-16-8-3-9-17-25,26-18-10-4-11-19-26)27-20-12-5-13-21-27/h2-21,28-29,31H,22-23H2,1H3/t28-,29-,31-/m1/s1.
What are the key properties of [(2R,3R,5R)-2-methoxy-5-(trityloxymethyl)oxolan-3-yl] benzoate?
[(2R,3R,5R)-2-methoxy-5-(trityloxymethyl)oxolan-3-yl] benzoate has a molecular weight of 494.59 g/mol, XLogP of 5.98, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R,5R)-2-methoxy-5-(trityloxymethyl)oxolan-3-yl] benzoate is sourced from PubChem (CID 178184680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).