(2R,3S,5R,6S)-2-[(Z)-2-(benzenesulfonyl)-2-triethylsilylethenyl]-5-phenylmethoxy-6-prop-2-enyloxan-3-ol

C29H40O5SSi — CID 11409962

IUPAC(2R,3S,5R,6S)-2-[(Z)-2-(benzenesulfonyl)-2-triethylsilylethenyl]-5-phenylmethoxy-6-prop-2-enyloxan-3-ol
SMILESC=CC[C@@H]1O[C@H](/C=C(/[Si](CC)(CC)CC)S(=O)(=O)c2ccccc2)[C@@H](O)C[C@H]1OCc1ccccc1
InChIInChI=1S/C29H40O5SSi/c1-5-15-26-28(33-22-23-16-11-9-12-17-23)20-25(30)27(34-26)21-29(36(6-2,7-3)8-4)35(31,32)24-18-13-10-14-19-24/h5,9-14,16-19,21,25-28,30H,1,6-8,15,20,22H2,2-4H3/b29-21+/t25-,26-,27+,28+/m0/s1
InChIKeyFKVXAXBNVPFCJW-QLRGFEPESA-N
MW528.79 g/mol
LogP6.07
Rot. Bonds12

About (2R,3S,5R,6S)-2-[(Z)-2-(benzenesulfonyl)-2-triethylsilylethenyl]-5-phenylmethoxy-6-prop-2-enyloxan-3-ol

(2R,3S,5R,6S)-2-[(Z)-2-(benzenesulfonyl)-2-triethylsilylethenyl]-5-phenylmethoxy-6-prop-2-enyloxan-3-ol (PubChem CID 11409962) has the molecular formula C29H40O5SSi and a molecular weight of 528.79 g/mol. Its IUPAC name is (2R,3S,5R,6S)-2-[(Z)-2-(benzenesulfonyl)-2-triethylsilylethenyl]-5-phenylmethoxy-6-prop-2-enyloxan-3-ol.

Molecular Properties

Compound Name(2R,3S,5R,6S)-2-[(Z)-2-(benzenesulfonyl)-2-triethylsilylethenyl]-5-phenylmethoxy-6-prop-2-enyloxan-3-ol
PubChem CID11409962
Molecular FormulaC29H40O5SSi
Molecular Weight528.79 g/mol
Exact Mass528.24
IUPAC Name(2R,3S,5R,6S)-2-[(Z)-2-(benzenesulfonyl)-2-triethylsilylethenyl]-5-phenylmethoxy-6-prop-2-enyloxan-3-ol
SMILESC=CC[C@@H]1O[C@H](/C=C(/[Si](CC)(CC)CC)S(=O)(=O)c2ccccc2)[C@@H](O)C[C@H]1OCc1ccccc1
InChIInChI=1S/C29H40O5SSi/c1-5-15-26-28(33-22-23-16-11-9-12-17-23)20-25(30)27(34-26)21-29(36(6-2,7-3)8-4)35(31,32)24-18-13-10-14-19-24/h5,9-14,16-19,21,25-28,30H,1,6-8,15,20,22H2,2-4H3/b29-21+/t25-,26-,27+,28+/m0/s1
InChIKeyFKVXAXBNVPFCJW-QLRGFEPESA-N
XLogP6.07
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.79
LogP ≤ 56.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (2R,3S,5R,6S)-2-[(Z)-2-(benzenesulfonyl)-2-triethylsilylethenyl]-5-phenylmethoxy-6-prop-2-enyloxan-3-ol 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

(1R,2S)-1,3-dimethoxy-1-(4-methylsulfonylphenyl)propan-2-ol
CID 56665069
(2S,3R)-3-methoxy-3-(4-methylsulfonylphenyl)propane-1,2-diol
CID 56676499
4-(Benzenesulfonyl)-4-fluoro-1-phenylmethoxyoctan-3-ol
CID 102270642
4-(Benzenesulfonyl)-4-fluoro-1-phenylmethoxynonadecan-3-ol
CID 135060993
4-(Benzenesulfonyl)-4-fluoro-1-phenylmethoxydodecan-3-ol
CID 135062260
4-(Benzenesulfonyl)-4-fluoro-1-phenylmethoxyheptadecan-3-ol
CID 135062265
(2R,9S)-9-benzyloxy-1 (p-tolylsulfonyloxy)decane-2-ol
CID 86612733
[(2S,3R)-2-fluoro-3-hydroxy-4-phenylmethoxybutyl] 4-methylbenzenesulfonate
CID 140879255
(2-Fluoro-3-hydroxy-4-phenylmethoxybutyl) 4-methylbenzenesulfonate
CID 142742208
(2S)-2-[(3-fluoro-5-methylsulfonylphenyl)methoxy]-3-octadecoxypropan-1-ol
CID 163260104
2-[(3-Fluoro-5-methylsulfonylphenyl)methoxy]-3-octadecoxypropan-1-ol
CID 175428154
(2S)-2-(Benzyloxy)-3-hydroxypropyl 4-methylbenzene-1-sulfonate
CID 13678405

Frequently Asked Questions

What is the IUPAC name of (2R,3S,5R,6S)-2-[(Z)-2-(benzenesulfonyl)-2-triethylsilylethenyl]-5-phenylmethoxy-6-prop-2-enyloxan-3-ol?
The IUPAC name of (2R,3S,5R,6S)-2-[(Z)-2-(benzenesulfonyl)-2-triethylsilylethenyl]-5-phenylmethoxy-6-prop-2-enyloxan-3-ol (CID 11409962) is (2R,3S,5R,6S)-2-[(Z)-2-(benzenesulfonyl)-2-triethylsilylethenyl]-5-phenylmethoxy-6-prop-2-enyloxan-3-ol.
What is the SMILES notation for (2R,3S,5R,6S)-2-[(Z)-2-(benzenesulfonyl)-2-triethylsilylethenyl]-5-phenylmethoxy-6-prop-2-enyloxan-3-ol?
The canonical SMILES for (2R,3S,5R,6S)-2-[(Z)-2-(benzenesulfonyl)-2-triethylsilylethenyl]-5-phenylmethoxy-6-prop-2-enyloxan-3-ol is C=CC[C@@H]1O[C@H](/C=C(/[Si](CC)(CC)CC)S(=O)(=O)c2ccccc2)[C@@H](O)C[C@H]1OCc1ccccc1.
What is the InChIKey of (2R,3S,5R,6S)-2-[(Z)-2-(benzenesulfonyl)-2-triethylsilylethenyl]-5-phenylmethoxy-6-prop-2-enyloxan-3-ol?
The InChIKey is FKVXAXBNVPFCJW-QLRGFEPESA-N. The full InChI is InChI=1S/C29H40O5SSi/c1-5-15-26-28(33-22-23-16-11-9-12-17-23)20-25(30)27(34-26)21-29(36(6-2,7-3)8-4)35(31,32)24-18-13-10-14-19-24/h5,9-14,16-19,21,25-28,30H,1,6-8,15,20,22H2,2-4H3/b29-21+/t25-,26-,27+,28+/m0/s1.
What are the key properties of (2R,3S,5R,6S)-2-[(Z)-2-(benzenesulfonyl)-2-triethylsilylethenyl]-5-phenylmethoxy-6-prop-2-enyloxan-3-ol?
(2R,3S,5R,6S)-2-[(Z)-2-(benzenesulfonyl)-2-triethylsilylethenyl]-5-phenylmethoxy-6-prop-2-enyloxan-3-ol has a molecular weight of 528.79 g/mol, XLogP of 6.07, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,5R,6S)-2-[(Z)-2-(benzenesulfonyl)-2-triethylsilylethenyl]-5-phenylmethoxy-6-prop-2-enyloxan-3-ol is sourced from PubChem (CID 11409962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).