[(1R)-1-[(2S,3S)-3-(dimethylcarbamoyl)oxiran-2-yl]-2-trityloxyethyl] methanesulfonate

C27H29NO6S — CID 23729630

IUPAC[(1R)-1-[(2S,3S)-3-(dimethylcarbamoyl)oxiran-2-yl]-2-trityloxyethyl] methanesulfonate
SMILESCN(C)C(=O)[C@H]1O[C@@H]1[C@@H](COC(c1ccccc1)(c1ccccc1)c1ccccc1)OS(C)(=O)=O
InChIInChI=1S/C27H29NO6S/c1-28(2)26(29)25-24(33-25)23(34-35(3,30)31)19-32-27(20-13-7-4-8-14-20,21-15-9-5-10-16-21)22-17-11-6-12-18-22/h4-18,23-25H,19H2,1-3H3/t23-,24-,25+/m1/s1
InChIKeyYVXCHOMLVHBZKF-SDHSZQHLSA-N
MW495.60 g/mol
LogP3.20
Rot. Bonds10

About [(1R)-1-[(2S,3S)-3-(dimethylcarbamoyl)oxiran-2-yl]-2-trityloxyethyl] methanesulfonate

[(1R)-1-[(2S,3S)-3-(dimethylcarbamoyl)oxiran-2-yl]-2-trityloxyethyl] methanesulfonate (PubChem CID 23729630) has the molecular formula C27H29NO6S and a molecular weight of 495.60 g/mol. Its IUPAC name is [(1R)-1-[(2S,3S)-3-(dimethylcarbamoyl)oxiran-2-yl]-2-trityloxyethyl] methanesulfonate.

Molecular Properties

Compound Name[(1R)-1-[(2S,3S)-3-(dimethylcarbamoyl)oxiran-2-yl]-2-trityloxyethyl] methanesulfonate
PubChem CID23729630
Molecular FormulaC27H29NO6S
Molecular Weight495.60 g/mol
Exact Mass495.17
IUPAC Name[(1R)-1-[(2S,3S)-3-(dimethylcarbamoyl)oxiran-2-yl]-2-trityloxyethyl] methanesulfonate
SMILESCN(C)C(=O)[C@H]1O[C@@H]1[C@@H](COC(c1ccccc1)(c1ccccc1)c1ccccc1)OS(C)(=O)=O
InChIInChI=1S/C27H29NO6S/c1-28(2)26(29)25-24(33-25)23(34-35(3,30)31)19-32-27(20-13-7-4-8-14-20,21-15-9-5-10-16-21)22-17-11-6-12-18-22/h4-18,23-25H,19H2,1-3H3/t23-,24-,25+/m1/s1
InChIKeyYVXCHOMLVHBZKF-SDHSZQHLSA-N
XLogP3.20
TPSA85.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.60
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze [(1R)-1-[(2S,3S)-3-(dimethylcarbamoyl)oxiran-2-yl]-2-trityloxyethyl] methanesulfonate with MolForge

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

Launch Full Analysis

Related Compounds

(1-phenylmethoxy-3-trityloxypropan-2-yl) methanesulfonate
CID 86650226
methyl (2S)-2-hydroxy-3-trityloxypropanoate
CID 11760225
[(2S,3R,4S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methylsulfonyloxy-5-trityloxypentyl] methanesulfonate
CID 10865636
methyl 2-methoxy-3-trityloxypropanoate
CID 14162189
ethyl 2-hydroxy-3-trityloxypropanoate
CID 139757366
[(3aR,5R,6S,6aR)-5-(1-acetyloxy-2-trityloxyethyl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl] acetate
CID 22696391
tert-butyl 2-amino-3-trityloxypropanoate
CID 68760349
(1R)-1-[(4R,5S)-5-(hydroxymethyl)-2,2,5-trimethyl-1,3-dioxolan-4-yl]-2-trityloxyethanol
CID 135009925
[(1S)-2-phenylmethoxy-1-[(2S,3R,4S)-3,4,5-trihydroxyoxolan-2-yl]ethyl] methanesulfonate
CID 101148234
1-[(4S,5R)-5-acetyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2-trityloxyethanone
CID 23242978
3-hydroxy-4-methyl-5-trityloxypentan-2-one
CID 13129941
2-[2-[2-(2-trityloxyethoxy)ethoxy]ethoxy]ethanol;2-[2-[2-(2-trityloxyethoxy)ethoxy]ethoxy]ethyl methanesulfonate
CID 165061448

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-[(2S,3S)-3-(dimethylcarbamoyl)oxiran-2-yl]-2-trityloxyethyl] methanesulfonate?
The IUPAC name of [(1R)-1-[(2S,3S)-3-(dimethylcarbamoyl)oxiran-2-yl]-2-trityloxyethyl] methanesulfonate (CID 23729630) is [(1R)-1-[(2S,3S)-3-(dimethylcarbamoyl)oxiran-2-yl]-2-trityloxyethyl] methanesulfonate.
What is the SMILES notation for [(1R)-1-[(2S,3S)-3-(dimethylcarbamoyl)oxiran-2-yl]-2-trityloxyethyl] methanesulfonate?
The canonical SMILES for [(1R)-1-[(2S,3S)-3-(dimethylcarbamoyl)oxiran-2-yl]-2-trityloxyethyl] methanesulfonate is CN(C)C(=O)[C@H]1O[C@@H]1[C@@H](COC(c1ccccc1)(c1ccccc1)c1ccccc1)OS(C)(=O)=O.
What is the InChIKey of [(1R)-1-[(2S,3S)-3-(dimethylcarbamoyl)oxiran-2-yl]-2-trityloxyethyl] methanesulfonate?
The InChIKey is YVXCHOMLVHBZKF-SDHSZQHLSA-N. The full InChI is InChI=1S/C27H29NO6S/c1-28(2)26(29)25-24(33-25)23(34-35(3,30)31)19-32-27(20-13-7-4-8-14-20,21-15-9-5-10-16-21)22-17-11-6-12-18-22/h4-18,23-25H,19H2,1-3H3/t23-,24-,25+/m1/s1.
What are the key properties of [(1R)-1-[(2S,3S)-3-(dimethylcarbamoyl)oxiran-2-yl]-2-trityloxyethyl] methanesulfonate?
[(1R)-1-[(2S,3S)-3-(dimethylcarbamoyl)oxiran-2-yl]-2-trityloxyethyl] methanesulfonate has a molecular weight of 495.60 g/mol, XLogP of 3.20, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-[(2S,3S)-3-(dimethylcarbamoyl)oxiran-2-yl]-2-trityloxyethyl] methanesulfonate is sourced from PubChem (CID 23729630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).