1-[(2R,4S,6R)-2-phenyl-6-(trityloxymethyl)-1,3-dioxan-4-yl]propan-2-one

C33H32O4 — CID 11049278

IUPAC1-[(2R,4S,6R)-2-phenyl-6-(trityloxymethyl)-1,3-dioxan-4-yl]propan-2-one
SMILESCC(=O)C[C@@H]1C[C@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)O[C@H](c2ccccc2)O1
InChIInChI=1S/C33H32O4/c1-25(34)22-30-23-31(37-32(36-30)26-14-6-2-7-15-26)24-35-33(27-16-8-3-9-17-27,28-18-10-4-11-19-28)29-20-12-5-13-21-29/h2-21,30-32H,22-24H2,1H3/t30-,31-,32-/m1/s1
InChIKeyJODRCZAQNNDMSP-XWHIBYANSA-N
MW492.62 g/mol
LogP6.85
Rot. Bonds9

About 1-[(2R,4S,6R)-2-phenyl-6-(trityloxymethyl)-1,3-dioxan-4-yl]propan-2-one

1-[(2R,4S,6R)-2-phenyl-6-(trityloxymethyl)-1,3-dioxan-4-yl]propan-2-one (PubChem CID 11049278) has the molecular formula C33H32O4 and a molecular weight of 492.62 g/mol. Its IUPAC name is 1-[(2R,4S,6R)-2-phenyl-6-(trityloxymethyl)-1,3-dioxan-4-yl]propan-2-one.

Molecular Properties

Compound Name1-[(2R,4S,6R)-2-phenyl-6-(trityloxymethyl)-1,3-dioxan-4-yl]propan-2-one
PubChem CID11049278
Molecular FormulaC33H32O4
Molecular Weight492.62 g/mol
Exact Mass492.23
IUPAC Name1-[(2R,4S,6R)-2-phenyl-6-(trityloxymethyl)-1,3-dioxan-4-yl]propan-2-one
SMILESCC(=O)C[C@@H]1C[C@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)O[C@H](c2ccccc2)O1
InChIInChI=1S/C33H32O4/c1-25(34)22-30-23-31(37-32(36-30)26-14-6-2-7-15-26)24-35-33(27-16-8-3-9-17-27,28-18-10-4-11-19-28)29-20-12-5-13-21-29/h2-21,30-32H,22-24H2,1H3/t30-,31-,32-/m1/s1
InChIKeyJODRCZAQNNDMSP-XWHIBYANSA-N
XLogP6.85
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.62
LogP ≤ 56.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R,4S,6R)-2-phenyl-6-(trityloxymethyl)-1,3-dioxan-4-yl]propan-2-one?
The IUPAC name of 1-[(2R,4S,6R)-2-phenyl-6-(trityloxymethyl)-1,3-dioxan-4-yl]propan-2-one (CID 11049278) is 1-[(2R,4S,6R)-2-phenyl-6-(trityloxymethyl)-1,3-dioxan-4-yl]propan-2-one.
What is the SMILES notation for 1-[(2R,4S,6R)-2-phenyl-6-(trityloxymethyl)-1,3-dioxan-4-yl]propan-2-one?
The canonical SMILES for 1-[(2R,4S,6R)-2-phenyl-6-(trityloxymethyl)-1,3-dioxan-4-yl]propan-2-one is CC(=O)C[C@@H]1C[C@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)O[C@H](c2ccccc2)O1.
What is the InChIKey of 1-[(2R,4S,6R)-2-phenyl-6-(trityloxymethyl)-1,3-dioxan-4-yl]propan-2-one?
The InChIKey is JODRCZAQNNDMSP-XWHIBYANSA-N. The full InChI is InChI=1S/C33H32O4/c1-25(34)22-30-23-31(37-32(36-30)26-14-6-2-7-15-26)24-35-33(27-16-8-3-9-17-27,28-18-10-4-11-19-28)29-20-12-5-13-21-29/h2-21,30-32H,22-24H2,1H3/t30-,31-,32-/m1/s1.
What are the key properties of 1-[(2R,4S,6R)-2-phenyl-6-(trityloxymethyl)-1,3-dioxan-4-yl]propan-2-one?
1-[(2R,4S,6R)-2-phenyl-6-(trityloxymethyl)-1,3-dioxan-4-yl]propan-2-one has a molecular weight of 492.62 g/mol, XLogP of 6.85, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,4S,6R)-2-phenyl-6-(trityloxymethyl)-1,3-dioxan-4-yl]propan-2-one is sourced from PubChem (CID 11049278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).