[(2R,3S,4aR,6S,7R,8aS)-6-[(Z)-3-(benzenesulfonyl)prop-2-enyl]-3-phenylmethoxy-2-(phenylmethoxymethyl)-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-7-yl]oxy-tert-butyl-dimethylsilane

C38H50O7SSi — CID 71537129

IUPAC[(2R,3S,4aR,6S,7R,8aS)-6-[(Z)-3-(benzenesulfonyl)prop-2-enyl]-3-phenylmethoxy-2-(phenylmethoxymethyl)-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-7-yl]oxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1C[C@@H]2O[C@H](COCc3ccccc3)[C@@H](OCc3ccccc3)C[C@H]2O[C@H]1C/C=C\S(=O)(=O)c1ccccc1
InChIInChI=1S/C38H50O7SSi/c1-38(2,3)47(4,5)45-36-25-35-34(43-32(36)22-15-23-46(39,40)31-20-13-8-14-21-31)24-33(42-27-30-18-11-7-12-19-30)37(44-35)28-41-26-29-16-9-6-10-17-29/h6-21,23,32-37H,22,24-28H2,1-5H3/b23-15-/t32-,33-,34+,35-,36+,37+/m0/s1
InChIKeyYIJKUYQWQXIWJH-GIDZLYSNSA-N
MW678.96 g/mol
LogP7.87
Rot. Bonds13

About [(2R,3S,4aR,6S,7R,8aS)-6-[(Z)-3-(benzenesulfonyl)prop-2-enyl]-3-phenylmethoxy-2-(phenylmethoxymethyl)-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-7-yl]oxy-tert-butyl-dimethylsilane

[(2R,3S,4aR,6S,7R,8aS)-6-[(Z)-3-(benzenesulfonyl)prop-2-enyl]-3-phenylmethoxy-2-(phenylmethoxymethyl)-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-7-yl]oxy-tert-butyl-dimethylsilane (PubChem CID 71537129) has the molecular formula C38H50O7SSi and a molecular weight of 678.96 g/mol. Its IUPAC name is [(2R,3S,4aR,6S,7R,8aS)-6-[(Z)-3-(benzenesulfonyl)prop-2-enyl]-3-phenylmethoxy-2-(phenylmethoxymethyl)-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-7-yl]oxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(2R,3S,4aR,6S,7R,8aS)-6-[(Z)-3-(benzenesulfonyl)prop-2-enyl]-3-phenylmethoxy-2-(phenylmethoxymethyl)-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-7-yl]oxy-tert-butyl-dimethylsilane
PubChem CID71537129
Molecular FormulaC38H50O7SSi
Molecular Weight678.96 g/mol
Exact Mass678.30
IUPAC Name[(2R,3S,4aR,6S,7R,8aS)-6-[(Z)-3-(benzenesulfonyl)prop-2-enyl]-3-phenylmethoxy-2-(phenylmethoxymethyl)-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-7-yl]oxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1C[C@@H]2O[C@H](COCc3ccccc3)[C@@H](OCc3ccccc3)C[C@H]2O[C@H]1C/C=C\S(=O)(=O)c1ccccc1
InChIInChI=1S/C38H50O7SSi/c1-38(2,3)47(4,5)45-36-25-35-34(43-32(36)22-15-23-46(39,40)31-20-13-8-14-21-31)24-33(42-27-30-18-11-7-12-19-30)37(44-35)28-41-26-29-16-9-6-10-17-29/h6-21,23,32-37H,22,24-28H2,1-5H3/b23-15-/t32-,33-,34+,35-,36+,37+/m0/s1
InChIKeyYIJKUYQWQXIWJH-GIDZLYSNSA-N
XLogP7.87
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500678.96
LogP ≤ 57.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze [(2R,3S,4aR,6S,7R,8aS)-6-[(Z)-3-(benzenesulfonyl)prop-2-enyl]-3-phenylmethoxy-2-(phenylmethoxymethyl)-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-7-yl]oxy-tert-butyl-dimethylsilane 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

tert-butyl-dimethyl-[(2R,3R,5R)-2-[(E)-pent-2-enyl]-5-(phenylmethoxymethyl)oxolan-3-yl]oxysilane
CID 53350176
2-[(1R,3S,5R,6S,8R,10S,12R,13S)-5-[tert-butyl(dimethyl)silyl]oxy-8,10-dimethyl-13-phenylmethoxy-12-(phenylmethoxymethyl)-2,7,11-trioxatricyclo[8.4.0.03,8]tetradecan-6-yl]acetic acid
CID 16720254
(2R,4R,5R)-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolane-2-carbaldehyde
CID 134841401
(2R,3S,5R,7R,8S)-2-[(E)-but-2-enyl]-5-methyl-7-phenylmethoxy-8-(phenylmethoxymethyl)oxocan-3-ol
CID 134922663
[(4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-(phenylmethoxymethyl)cyclopenten-1-yl]methanol
CID 68839728
(3R,4S,5S,6R)-3,6-bis[[tert-butyl(dimethyl)silyl]oxy]-4,5-bis(phenylmethoxy)cycloheptan-1-ol
CID 101106224
1-[(2R,5R)-5-[[3,5-bis(phenylmethoxy)phenyl]methoxymethyl]-4-[tert-butyl(dimethyl)silyl]oxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 67654342
(1S,2R,3R,4R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxy-4-(phenylmethoxymethyl)cyclohexane-1,2-diol
CID 53473858
(2R,4S,5R)-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolane-2-carboxylic acid
CID 11382284
(2R,3S,5R)-5-ethenyl-3-phenylmethoxy-2-(phenylmethoxymethyl)oxolane
CID 11771686
(2R,4S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-phenylmethoxy-6-(phenylmethoxymethyl)oxan-4-ol
CID 71166590
tert-butyl-[(2R,3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[[(2R,3R,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]-5-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-dimethylsilane
CID 132937828

Frequently Asked Questions

What is the IUPAC name of [(2R,3S,4aR,6S,7R,8aS)-6-[(Z)-3-(benzenesulfonyl)prop-2-enyl]-3-phenylmethoxy-2-(phenylmethoxymethyl)-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-7-yl]oxy-tert-butyl-dimethylsilane?
The IUPAC name of [(2R,3S,4aR,6S,7R,8aS)-6-[(Z)-3-(benzenesulfonyl)prop-2-enyl]-3-phenylmethoxy-2-(phenylmethoxymethyl)-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-7-yl]oxy-tert-butyl-dimethylsilane (CID 71537129) is [(2R,3S,4aR,6S,7R,8aS)-6-[(Z)-3-(benzenesulfonyl)prop-2-enyl]-3-phenylmethoxy-2-(phenylmethoxymethyl)-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-7-yl]oxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(2R,3S,4aR,6S,7R,8aS)-6-[(Z)-3-(benzenesulfonyl)prop-2-enyl]-3-phenylmethoxy-2-(phenylmethoxymethyl)-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-7-yl]oxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(2R,3S,4aR,6S,7R,8aS)-6-[(Z)-3-(benzenesulfonyl)prop-2-enyl]-3-phenylmethoxy-2-(phenylmethoxymethyl)-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-7-yl]oxy-tert-butyl-dimethylsilane is CC(C)(C)[Si](C)(C)O[C@@H]1C[C@@H]2O[C@H](COCc3ccccc3)[C@@H](OCc3ccccc3)C[C@H]2O[C@H]1C/C=C\S(=O)(=O)c1ccccc1.
What is the InChIKey of [(2R,3S,4aR,6S,7R,8aS)-6-[(Z)-3-(benzenesulfonyl)prop-2-enyl]-3-phenylmethoxy-2-(phenylmethoxymethyl)-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-7-yl]oxy-tert-butyl-dimethylsilane?
The InChIKey is YIJKUYQWQXIWJH-GIDZLYSNSA-N. The full InChI is InChI=1S/C38H50O7SSi/c1-38(2,3)47(4,5)45-36-25-35-34(43-32(36)22-15-23-46(39,40)31-20-13-8-14-21-31)24-33(42-27-30-18-11-7-12-19-30)37(44-35)28-41-26-29-16-9-6-10-17-29/h6-21,23,32-37H,22,24-28H2,1-5H3/b23-15-/t32-,33-,34+,35-,36+,37+/m0/s1.
What are the key properties of [(2R,3S,4aR,6S,7R,8aS)-6-[(Z)-3-(benzenesulfonyl)prop-2-enyl]-3-phenylmethoxy-2-(phenylmethoxymethyl)-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-7-yl]oxy-tert-butyl-dimethylsilane?
[(2R,3S,4aR,6S,7R,8aS)-6-[(Z)-3-(benzenesulfonyl)prop-2-enyl]-3-phenylmethoxy-2-(phenylmethoxymethyl)-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-7-yl]oxy-tert-butyl-dimethylsilane has a molecular weight of 678.96 g/mol, XLogP of 7.87, 13 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S,4aR,6S,7R,8aS)-6-[(Z)-3-(benzenesulfonyl)prop-2-enyl]-3-phenylmethoxy-2-(phenylmethoxymethyl)-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-7-yl]oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 71537129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).