(+)-4,5-Bis[hydroxy(diphenyl)methyl]-2,2-dimethyl-1,3-dioxolane

• CAS: 93379-49-8
• Catalog Number: ACM93379498
• Category: Other Products
• Molecular Weight: 466.577g/mol
• Molecular Formula: C31H30O4
• Synonyms: SCHEMBL4383952; [(4S,5S)-2,2-dimethyl-1,3-dioxolane-4,5-diyl]bis(diphenylmethanol); AX8009294; (4S,5S)-2,2-Dimethyl-alpha,alpha,alpha',alpha'-tetraphenyldioxolane-4,5-dimethanol, 97%; AB1011168; MFCD00010079; CD-655; 379B498; KS-00000VWJ; (2S,3S)-2,3-O-Isopropylidene-1,1,4,4-tetraphenyl-1,2,3,4-butanetetrol
• IUPAC Name: [(4S,5S)-5-[hydroxy(diphenyl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-diphenylmethanol
• Canonical SMILES: CC1(OC(C(O1)C(C2=CC=CC=C2)(C3=CC=CC=C3)O)C(C4=CC=CC=C4)(C5=CC=CC=C5)O)C
• InChI: InChI=1S/C31H30O4/c1-29(2)34-27(30(32,23-15-7-3-8-16-23)24-17-9-4-10-18-24)28(35-29)31(33,25-19-11-5-12-20-25)26-21-13-6-14-22-26/h3-22,27-28,32-33H,1-2H3/t27-,28-/m0/s1
• InChI Key: OWVIRVJQDVCGQX-NSOVKSMOSA-N
• Complexity: 574
• Covalently-Bonded Unit Count: 1
• Defined Atom Stereocenter Count: 2
• Exact Mass: 466.214g/mol
• H-Bond Acceptor: 4
• H-Bond Donor: 2
• Heavy Atom Count: 35
• Monoisotopic Mass: 466.214g/mol
• Rotatable Bond Count: 6
• Topological Polar Surface Area: 58.9A^2

Custom Q&A

What is the molecular formula of (+)-4,5-Bis[hydroxy(diphenyl)methyl]-2,2-dimethyl-1,3-dioxolane?

The molecular formula is C31H30O4.

What is the molecular weight of (+)-4,5-Bis[hydroxy(diphenyl)methyl]-2,2-dimethyl-1,3-dioxolane?

The molecular weight is 466.6 g/mol.

What is the IUPAC name of (+)-4,5-Bis[hydroxy(diphenyl)methyl]-2,2-dimethyl-1,3-dioxolane?

The IUPAC name is [(4S,5S)-5-[hydroxy(diphenyl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-diphenylmethanol.

What is the InChI of (+)-4,5-Bis[hydroxy(diphenyl)methyl]-2,2-dimethyl-1,3-dioxolane?

The InChI is InChI=1S/C31H30O4/c1-29(2)34-27(30(32,23-15-7-3-8-16-23)24-17-9-4-10-18-24)28(35-29)31(33,25-19-11-5-12-20-25)26-21-13-6-14-22-26/h3-22,27-28,32-33H,1-2H3/t27-,28-/m0/s1.

What is the InChIKey of (+)-4,5-Bis[hydroxy(diphenyl)methyl]-2,2-dimethyl-1,3-dioxolane?

The InChIKey is OWVIRVJQDVCGQX-NSOVKSMOSA-N.

What is the canonical SMILES of (+)-4,5-Bis[hydroxy(diphenyl)methyl]-2,2-dimethyl-1,3-dioxolane?

The canonical SMILES is CC1(OC(C(O1)C(C2=CC=CC=C2)(C3=CC=CC=C3)O)C(C4=CC=CC=C4)(C5=CC=CC=C5)O)C.

What is the isomeric SMILES of (+)-4,5-Bis[hydroxy(diphenyl)methyl]-2,2-dimethyl-1,3-dioxolane?

The isomeric SMILES is CC1(O[C@@H]([C@H](O1)C(C2=CC=CC=C2)(C3=CC=CC=C3)O)C(C4=CC=CC=C4)(C5=CC=CC=C5)O)C.

What is the XLogP3-AA value of (+)-4,5-Bis[hydroxy(diphenyl)methyl]-2,2-dimethyl-1,3-dioxolane?

The XLogP3-AA value is 5.2.

How many hydrogen bond donor counts does (+)-4,5-Bis[hydroxy(diphenyl)methyl]-2,2-dimethyl-1,3-dioxolane have?

It has 2 hydrogen bond donor counts.

What is the topological polar surface area of (+)-4,5-Bis[hydroxy(diphenyl)methyl]-2,2-dimethyl-1,3-dioxolane?

The topological polar surface area is 58.9 ?2.