[(2R,3S,4S,5S)-5-methyl-3-(4-methylphenyl)sulfonyloxy-4-prop-1-en-2-yloxyoxolan-2-yl]methyl acetate

C18H24O7S — CID 58503410

IUPAC[(2R,3S,4S,5S)-5-methyl-3-(4-methylphenyl)sulfonyloxy-4-prop-1-en-2-yloxyoxolan-2-yl]methyl acetate
SMILESC=C(C)O[C@@H]1[C@@H](OS(=O)(=O)c2ccc(C)cc2)[C@@H](COC(C)=O)O[C@H]1C
InChIInChI=1S/C18H24O7S/c1-11(2)23-17-13(4)24-16(10-22-14(5)19)18(17)25-26(20,21)15-8-6-12(3)7-9-15/h6-9,13,16-18H,1,10H2,2-5H3/t13-,16+,17-,18-/m0/s1
InChIKeyGMTCXDWBKUXYMV-NBMRYCAZSA-N
MW384.45 g/mol
LogP2.34
Rot. Bonds7

About [(2R,3S,4S,5S)-5-methyl-3-(4-methylphenyl)sulfonyloxy-4-prop-1-en-2-yloxyoxolan-2-yl]methyl acetate

[(2R,3S,4S,5S)-5-methyl-3-(4-methylphenyl)sulfonyloxy-4-prop-1-en-2-yloxyoxolan-2-yl]methyl acetate (PubChem CID 58503410) has the molecular formula C18H24O7S and a molecular weight of 384.45 g/mol. Its IUPAC name is [(2R,3S,4S,5S)-5-methyl-3-(4-methylphenyl)sulfonyloxy-4-prop-1-en-2-yloxyoxolan-2-yl]methyl acetate.

Molecular Properties

Compound Name[(2R,3S,4S,5S)-5-methyl-3-(4-methylphenyl)sulfonyloxy-4-prop-1-en-2-yloxyoxolan-2-yl]methyl acetate
PubChem CID58503410
Molecular FormulaC18H24O7S
Molecular Weight384.45 g/mol
Exact Mass384.12
IUPAC Name[(2R,3S,4S,5S)-5-methyl-3-(4-methylphenyl)sulfonyloxy-4-prop-1-en-2-yloxyoxolan-2-yl]methyl acetate
SMILESC=C(C)O[C@@H]1[C@@H](OS(=O)(=O)c2ccc(C)cc2)[C@@H](COC(C)=O)O[C@H]1C
InChIInChI=1S/C18H24O7S/c1-11(2)23-17-13(4)24-16(10-22-14(5)19)18(17)25-26(20,21)15-8-6-12(3)7-9-15/h6-9,13,16-18H,1,10H2,2-5H3/t13-,16+,17-,18-/m0/s1
InChIKeyGMTCXDWBKUXYMV-NBMRYCAZSA-N
XLogP2.34
TPSA88.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.45
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

Analyze [(2R,3S,4S,5S)-5-methyl-3-(4-methylphenyl)sulfonyloxy-4-prop-1-en-2-yloxyoxolan-2-yl]methyl acetate 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

[(2R,3S,4R)-4-acetyloxy-5-hydroxy-3-(4-methylphenyl)sulfonyloxyoxolan-2-yl]methyl acetate
CID 171125253
[(2R,3R,4S,5R,6S)-3,5,6-triacetyloxy-4-(4-methylphenyl)sulfonyloxyoxan-2-yl]methyl acetate
CID 88745095
[(2R,3R,4R,5R)-4-acetyloxy-2,5-bis[(4-methylphenyl)sulfonyloxymethyl]oxolan-3-yl] acetate
CID 11082242
[(2R,3S,4R,5R)-4-acetyloxy-5-(5-chloro-2,4-dioxopyrimidin-1-yl)-3-(4-methylphenyl)sulfonyloxyoxolan-2-yl]methyl acetate
CID 87408934
[(2R,3R,4S,5S,6S)-6-methoxy-4-(4-methylphenyl)sulfonyloxy-3,5-bis(phenylmethoxy)oxan-2-yl]methyl acetate
CID 102328750
[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[(2R,3R,4S,5R,6S)-4,5,6-triacetyloxy-2-[(4-methylphenyl)sulfonyloxymethyl]oxan-3-yl]oxyoxan-2-yl]methyl acetate
CID 102010609
[(2R,3R,4R,5S,6R)-2,5-dihydroxy-6-methyl-4-(4-methylphenyl)sulfonyloxyoxan-3-yl] acetate
CID 171125597
[(3R,4S,5S,6R)-6-ethyl-4,5-dimethyl-3-(4-methylphenyl)sulfonyloxyoxan-2-yl] acetate
CID 58419243
[(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-[6-(4-methylphenyl)sulfonyloxyhexylsulfanyl]oxan-2-yl]methyl acetate
CID 22812654
[(2R,3S,4R,5R)-4-acetyloxy-5-(2,4-dioxo-5-propylpyrimidin-1-yl)-3-(4-methylphenyl)sulfonyloxyoxolan-2-yl]methyl acetate
CID 87408766
[(2R,3S,4R,5R)-4-acetyloxy-5-(4-amino-2-oxo-5-propylpyrimidin-1-yl)-3-(4-methylphenyl)sulfonyloxyoxolan-2-yl]methyl acetate
CID 87408706
[(3R)-3-methyloxiran-2-yl]methyl 4-methylbenzenesulfonate
CID 174440398

Frequently Asked Questions

What is the IUPAC name of [(2R,3S,4S,5S)-5-methyl-3-(4-methylphenyl)sulfonyloxy-4-prop-1-en-2-yloxyoxolan-2-yl]methyl acetate?
The IUPAC name of [(2R,3S,4S,5S)-5-methyl-3-(4-methylphenyl)sulfonyloxy-4-prop-1-en-2-yloxyoxolan-2-yl]methyl acetate (CID 58503410) is [(2R,3S,4S,5S)-5-methyl-3-(4-methylphenyl)sulfonyloxy-4-prop-1-en-2-yloxyoxolan-2-yl]methyl acetate.
What is the SMILES notation for [(2R,3S,4S,5S)-5-methyl-3-(4-methylphenyl)sulfonyloxy-4-prop-1-en-2-yloxyoxolan-2-yl]methyl acetate?
The canonical SMILES for [(2R,3S,4S,5S)-5-methyl-3-(4-methylphenyl)sulfonyloxy-4-prop-1-en-2-yloxyoxolan-2-yl]methyl acetate is C=C(C)O[C@@H]1[C@@H](OS(=O)(=O)c2ccc(C)cc2)[C@@H](COC(C)=O)O[C@H]1C.
What is the InChIKey of [(2R,3S,4S,5S)-5-methyl-3-(4-methylphenyl)sulfonyloxy-4-prop-1-en-2-yloxyoxolan-2-yl]methyl acetate?
The InChIKey is GMTCXDWBKUXYMV-NBMRYCAZSA-N. The full InChI is InChI=1S/C18H24O7S/c1-11(2)23-17-13(4)24-16(10-22-14(5)19)18(17)25-26(20,21)15-8-6-12(3)7-9-15/h6-9,13,16-18H,1,10H2,2-5H3/t13-,16+,17-,18-/m0/s1.
What are the key properties of [(2R,3S,4S,5S)-5-methyl-3-(4-methylphenyl)sulfonyloxy-4-prop-1-en-2-yloxyoxolan-2-yl]methyl acetate?
[(2R,3S,4S,5S)-5-methyl-3-(4-methylphenyl)sulfonyloxy-4-prop-1-en-2-yloxyoxolan-2-yl]methyl acetate has a molecular weight of 384.45 g/mol, XLogP of 2.34, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S,4S,5S)-5-methyl-3-(4-methylphenyl)sulfonyloxy-4-prop-1-en-2-yloxyoxolan-2-yl]methyl acetate is sourced from PubChem (CID 58503410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).