(4R,5R)-4,5-bis[(1R)-1-methoxy-2-trityloxyethyl]-2,2-dimethyl-1,3-dioxolane

C49H50O6 — CID 10747546

IUPAC(4R,5R)-4,5-bis[(1R)-1-methoxy-2-trityloxyethyl]-2,2-dimethyl-1,3-dioxolane
SMILESCO[C@H](COC(c1ccccc1)(c1ccccc1)c1ccccc1)[C@H]1OC(C)(C)O[C@@H]1[C@@H](COC(c1ccccc1)(c1ccccc1)c1ccccc1)OC
InChIInChI=1S/C49H50O6/c1-47(2)54-45(43(50-3)35-52-48(37-23-11-5-12-24-37,38-25-13-6-14-26-38)39-27-15-7-16-28-39)46(55-47)44(51-4)36-53-49(40-29-17-8-18-30-40,41-31-19-9-20-32-41)42-33-21-10-22-34-42/h5-34,43-46H,35-36H2,1-4H3/t43-,44-,45-,46-/m1/s1
InChIKeyAXOIIVBRGBTHSL-AXRJLGSNSA-N
MW734.93 g/mol
LogP9.55
Rot. Bonds16

About (4R,5R)-4,5-bis[(1R)-1-methoxy-2-trityloxyethyl]-2,2-dimethyl-1,3-dioxolane

(4R,5R)-4,5-bis[(1R)-1-methoxy-2-trityloxyethyl]-2,2-dimethyl-1,3-dioxolane (PubChem CID 10747546) has the molecular formula C49H50O6 and a molecular weight of 734.93 g/mol. Its IUPAC name is (4R,5R)-4,5-bis[(1R)-1-methoxy-2-trityloxyethyl]-2,2-dimethyl-1,3-dioxolane.

Molecular Properties

Compound Name(4R,5R)-4,5-bis[(1R)-1-methoxy-2-trityloxyethyl]-2,2-dimethyl-1,3-dioxolane
PubChem CID10747546
Molecular FormulaC49H50O6
Molecular Weight734.93 g/mol
Exact Mass734.36
IUPAC Name(4R,5R)-4,5-bis[(1R)-1-methoxy-2-trityloxyethyl]-2,2-dimethyl-1,3-dioxolane
SMILESCO[C@H](COC(c1ccccc1)(c1ccccc1)c1ccccc1)[C@H]1OC(C)(C)O[C@@H]1[C@@H](COC(c1ccccc1)(c1ccccc1)c1ccccc1)OC
InChIInChI=1S/C49H50O6/c1-47(2)54-45(43(50-3)35-52-48(37-23-11-5-12-24-37,38-25-13-6-14-26-38)39-27-15-7-16-28-39)46(55-47)44(51-4)36-53-49(40-29-17-8-18-30-40,41-31-19-9-20-32-41)42-33-21-10-22-34-42/h5-34,43-46H,35-36H2,1-4H3/t43-,44-,45-,46-/m1/s1
InChIKeyAXOIIVBRGBTHSL-AXRJLGSNSA-N
XLogP9.55
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500734.93
LogP ≤ 59.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (4R,5R)-4,5-bis[(1R)-1-methoxy-2-trityloxyethyl]-2,2-dimethyl-1,3-dioxolane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4R,5R)-4,5-bis[(1R)-1-methoxy-2-trityloxyethyl]-2,2-dimethyl-1,3-dioxolane?
The IUPAC name of (4R,5R)-4,5-bis[(1R)-1-methoxy-2-trityloxyethyl]-2,2-dimethyl-1,3-dioxolane (CID 10747546) is (4R,5R)-4,5-bis[(1R)-1-methoxy-2-trityloxyethyl]-2,2-dimethyl-1,3-dioxolane.
What is the SMILES notation for (4R,5R)-4,5-bis[(1R)-1-methoxy-2-trityloxyethyl]-2,2-dimethyl-1,3-dioxolane?
The canonical SMILES for (4R,5R)-4,5-bis[(1R)-1-methoxy-2-trityloxyethyl]-2,2-dimethyl-1,3-dioxolane is CO[C@H](COC(c1ccccc1)(c1ccccc1)c1ccccc1)[C@H]1OC(C)(C)O[C@@H]1[C@@H](COC(c1ccccc1)(c1ccccc1)c1ccccc1)OC.
What is the InChIKey of (4R,5R)-4,5-bis[(1R)-1-methoxy-2-trityloxyethyl]-2,2-dimethyl-1,3-dioxolane?
The InChIKey is AXOIIVBRGBTHSL-AXRJLGSNSA-N. The full InChI is InChI=1S/C49H50O6/c1-47(2)54-45(43(50-3)35-52-48(37-23-11-5-12-24-37,38-25-13-6-14-26-38)39-27-15-7-16-28-39)46(55-47)44(51-4)36-53-49(40-29-17-8-18-30-40,41-31-19-9-20-32-41)42-33-21-10-22-34-42/h5-34,43-46H,35-36H2,1-4H3/t43-,44-,45-,46-/m1/s1.
What are the key properties of (4R,5R)-4,5-bis[(1R)-1-methoxy-2-trityloxyethyl]-2,2-dimethyl-1,3-dioxolane?
(4R,5R)-4,5-bis[(1R)-1-methoxy-2-trityloxyethyl]-2,2-dimethyl-1,3-dioxolane has a molecular weight of 734.93 g/mol, XLogP of 9.55, 16 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-4,5-bis[(1R)-1-methoxy-2-trityloxyethyl]-2,2-dimethyl-1,3-dioxolane is sourced from PubChem (CID 10747546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).