(1R)-1-[(4R,5S)-5-(hydroxymethyl)-2,2,5-trimethyl-1,3-dioxolan-4-yl]-2-trityloxyethanol

C28H32O5 — CID 135009925

IUPAC(1R)-1-[(4R,5S)-5-(hydroxymethyl)-2,2,5-trimethyl-1,3-dioxolan-4-yl]-2-trityloxyethanol
SMILESCC1(C)O[C@H]([C@H](O)COC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@](C)(CO)O1
InChIInChI=1S/C28H32O5/c1-26(2)32-25(27(3,20-29)33-26)24(30)19-31-28(21-13-7-4-8-14-21,22-15-9-5-10-16-22)23-17-11-6-12-18-23/h4-18,24-25,29-30H,19-20H2,1-3H3/t24-,25-,27+/m1/s1
InChIKeyWIYFWUWEAHLSNT-SLQPCKNISA-N
MW448.56 g/mol
LogP4.26
Rot. Bonds8

About (1R)-1-[(4R,5S)-5-(hydroxymethyl)-2,2,5-trimethyl-1,3-dioxolan-4-yl]-2-trityloxyethanol

(1R)-1-[(4R,5S)-5-(hydroxymethyl)-2,2,5-trimethyl-1,3-dioxolan-4-yl]-2-trityloxyethanol (PubChem CID 135009925) has the molecular formula C28H32O5 and a molecular weight of 448.56 g/mol. Its IUPAC name is (1R)-1-[(4R,5S)-5-(hydroxymethyl)-2,2,5-trimethyl-1,3-dioxolan-4-yl]-2-trityloxyethanol.

Molecular Properties

Compound Name(1R)-1-[(4R,5S)-5-(hydroxymethyl)-2,2,5-trimethyl-1,3-dioxolan-4-yl]-2-trityloxyethanol
PubChem CID135009925
Molecular FormulaC28H32O5
Molecular Weight448.56 g/mol
Exact Mass448.22
IUPAC Name(1R)-1-[(4R,5S)-5-(hydroxymethyl)-2,2,5-trimethyl-1,3-dioxolan-4-yl]-2-trityloxyethanol
SMILESCC1(C)O[C@H]([C@H](O)COC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@](C)(CO)O1
InChIInChI=1S/C28H32O5/c1-26(2)32-25(27(3,20-29)33-26)24(30)19-31-28(21-13-7-4-8-14-21,22-15-9-5-10-16-22)23-17-11-6-12-18-23/h4-18,24-25,29-30H,19-20H2,1-3H3/t24-,25-,27+/m1/s1
InChIKeyWIYFWUWEAHLSNT-SLQPCKNISA-N
XLogP4.26
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.56
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (1R)-1-[(4R,5S)-5-(hydroxymethyl)-2,2,5-trimethyl-1,3-dioxolan-4-yl]-2-trityloxyethanol with MolForge

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Related Compounds

(3aS,6R,6aS)-6-[(1S)-1-hydroxy-2-trityloxyethyl]-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-one
CID 10837656
(1R)-1-[(4R,5R)-5-ethynyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2-trityloxyethanol
CID 132576023
methyl (2R,3S,4S)-3-hydroxy-2-methyl-4-[(4R,5R)-2,2,5-trimethyl-5-(trityloxymethyl)-1,3-dioxolan-4-yl]pentanoate
CID 163053012
1-[(4R,5S)-5-(2,2-diiodoethenyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-trityloxyethanol
CID 90414139
(1R)-1-[(4S,5S)-2,2-dimethyl-5-tetradecyl-1,3-dioxolan-4-yl]-2-trityloxyethanol
CID 140502477
(1R)-1-[(4R,5S)-5-[(Z)-2-chloro-2-(6-chloropyrimidin-4-yl)ethenyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-trityloxyethanol
CID 134931381
(1R)-1-[(4S,5R)-2,2-dimethyl-5-[(E)-tridec-1-enyl]-1,3-dioxolan-4-yl]-2-trityloxyethanol
CID 56954451
4-trityloxybutane-1,3-diol
CID 14027583
(2S,3S,4S,5R)-6-trityloxyhexane-1,2,3,4,5-pentol
CID 11761668
(2R,3R)-2-(iodomethyl)-2-methyl-3-(trityloxymethyl)oxirane
CID 102467326
(Z,5R)-5-[tert-butyl(dimethyl)silyl]oxy-6-trityloxyhex-2-en-1-ol
CID 135015770
2-[(4R,6S)-2,2-dimethyl-6-(trityloxymethyl)-1,3-dioxan-4-yl]acetic acid
CID 18716197

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[(4R,5S)-5-(hydroxymethyl)-2,2,5-trimethyl-1,3-dioxolan-4-yl]-2-trityloxyethanol?
The IUPAC name of (1R)-1-[(4R,5S)-5-(hydroxymethyl)-2,2,5-trimethyl-1,3-dioxolan-4-yl]-2-trityloxyethanol (CID 135009925) is (1R)-1-[(4R,5S)-5-(hydroxymethyl)-2,2,5-trimethyl-1,3-dioxolan-4-yl]-2-trityloxyethanol.
What is the SMILES notation for (1R)-1-[(4R,5S)-5-(hydroxymethyl)-2,2,5-trimethyl-1,3-dioxolan-4-yl]-2-trityloxyethanol?
The canonical SMILES for (1R)-1-[(4R,5S)-5-(hydroxymethyl)-2,2,5-trimethyl-1,3-dioxolan-4-yl]-2-trityloxyethanol is CC1(C)O[C@H]([C@H](O)COC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@](C)(CO)O1.
What is the InChIKey of (1R)-1-[(4R,5S)-5-(hydroxymethyl)-2,2,5-trimethyl-1,3-dioxolan-4-yl]-2-trityloxyethanol?
The InChIKey is WIYFWUWEAHLSNT-SLQPCKNISA-N. The full InChI is InChI=1S/C28H32O5/c1-26(2)32-25(27(3,20-29)33-26)24(30)19-31-28(21-13-7-4-8-14-21,22-15-9-5-10-16-22)23-17-11-6-12-18-23/h4-18,24-25,29-30H,19-20H2,1-3H3/t24-,25-,27+/m1/s1.
What are the key properties of (1R)-1-[(4R,5S)-5-(hydroxymethyl)-2,2,5-trimethyl-1,3-dioxolan-4-yl]-2-trityloxyethanol?
(1R)-1-[(4R,5S)-5-(hydroxymethyl)-2,2,5-trimethyl-1,3-dioxolan-4-yl]-2-trityloxyethanol has a molecular weight of 448.56 g/mol, XLogP of 4.26, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[(4R,5S)-5-(hydroxymethyl)-2,2,5-trimethyl-1,3-dioxolan-4-yl]-2-trityloxyethanol is sourced from PubChem (CID 135009925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).