trihydroxy-[3-[(2S,3R,4R,5S,6R)-5-[(2R,3R,4S,5S,6R)-5-methoxy-4-methyl-3-prop-2-enoxy-6-(prop-2-enoxymethyl)oxan-2-yl]oxy-2,4-dimethyl-6-(3-trihydroxysilylpropoxymethyl)oxan-3-yl]oxypropyl]silane

C28H54O14Si2 — CID 58961503

IUPACtrihydroxy-[3-[(2S,3R,4R,5S,6R)-5-[(2R,3R,4S,5S,6R)-5-methoxy-4-methyl-3-prop-2-enoxy-6-(prop-2-enoxymethyl)oxan-2-yl]oxy-2,4-dimethyl-6-(3-trihydroxysilylpropoxymethyl)oxan-3-yl]oxypropyl]silane
SMILESC=CCOC[C@H]1O[C@@H](O[C@H]2[C@H](C)[C@@H](OCCC[Si](O)(O)O)[C@H](C)O[C@@H]2COCCC[Si](O)(O)O)[C@H](OCC=C)[C@@H](C)[C@@H]1OC
InChIInChI=1S/C28H54O14Si2/c1-7-11-36-17-22-25(35-6)20(4)27(38-12-8-2)28(41-22)42-26-19(3)24(39-14-10-16-44(32,33)34)21(5)40-23(26)18-37-13-9-15-43(29,30)31/h7-8,19-34H,1-2,9-18H2,3-6H3/t19-,20+,21+,22-,23-,24-,25+,26+,27-,28+/m1/s1
InChIKeyJVNLNWINBUMGFK-GSBLETTISA-N
MW670.90 g/mol
LogP-0.04
Rot. Bonds21

About trihydroxy-[3-[(2S,3R,4R,5S,6R)-5-[(2R,3R,4S,5S,6R)-5-methoxy-4-methyl-3-prop-2-enoxy-6-(prop-2-enoxymethyl)oxan-2-yl]oxy-2,4-dimethyl-6-(3-trihydroxysilylpropoxymethyl)oxan-3-yl]oxypropyl]silane

trihydroxy-[3-[(2S,3R,4R,5S,6R)-5-[(2R,3R,4S,5S,6R)-5-methoxy-4-methyl-3-prop-2-enoxy-6-(prop-2-enoxymethyl)oxan-2-yl]oxy-2,4-dimethyl-6-(3-trihydroxysilylpropoxymethyl)oxan-3-yl]oxypropyl]silane (PubChem CID 58961503) has the molecular formula C28H54O14Si2 and a molecular weight of 670.90 g/mol. Its IUPAC name is trihydroxy-[3-[(2S,3R,4R,5S,6R)-5-[(2R,3R,4S,5S,6R)-5-methoxy-4-methyl-3-prop-2-enoxy-6-(prop-2-enoxymethyl)oxan-2-yl]oxy-2,4-dimethyl-6-(3-trihydroxysilylpropoxymethyl)oxan-3-yl]oxypropyl]silane.

Molecular Properties

Compound Nametrihydroxy-[3-[(2S,3R,4R,5S,6R)-5-[(2R,3R,4S,5S,6R)-5-methoxy-4-methyl-3-prop-2-enoxy-6-(prop-2-enoxymethyl)oxan-2-yl]oxy-2,4-dimethyl-6-(3-trihydroxysilylpropoxymethyl)oxan-3-yl]oxypropyl]silane
PubChem CID58961503
Molecular FormulaC28H54O14Si2
Molecular Weight670.90 g/mol
Exact Mass670.31
IUPAC Nametrihydroxy-[3-[(2S,3R,4R,5S,6R)-5-[(2R,3R,4S,5S,6R)-5-methoxy-4-methyl-3-prop-2-enoxy-6-(prop-2-enoxymethyl)oxan-2-yl]oxy-2,4-dimethyl-6-(3-trihydroxysilylpropoxymethyl)oxan-3-yl]oxypropyl]silane
SMILESC=CCOC[C@H]1O[C@@H](O[C@H]2[C@H](C)[C@@H](OCCC[Si](O)(O)O)[C@H](C)O[C@@H]2COCCC[Si](O)(O)O)[C@H](OCC=C)[C@@H](C)[C@@H]1OC
InChIInChI=1S/C28H54O14Si2/c1-7-11-36-17-22-25(35-6)20(4)27(38-12-8-2)28(41-22)42-26-19(3)24(39-14-10-16-44(32,33)34)21(5)40-23(26)18-37-13-9-15-43(29,30)31/h7-8,19-34H,1-2,9-18H2,3-6H3/t19-,20+,21+,22-,23-,24-,25+,26+,27-,28+/m1/s1
InChIKeyJVNLNWINBUMGFK-GSBLETTISA-N
XLogP-0.04
TPSA195.22 Ų
H-Bond Donors6
H-Bond Acceptors14
Rotatable Bonds21
Heavy Atoms44
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500670.90
LogP ≤ 5-0.04
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

Analyze trihydroxy-[3-[(2S,3R,4R,5S,6R)-5-[(2R,3R,4S,5S,6R)-5-methoxy-4-methyl-3-prop-2-enoxy-6-(prop-2-enoxymethyl)oxan-2-yl]oxy-2,4-dimethyl-6-(3-trihydroxysilylpropoxymethyl)oxan-3-yl]oxypropyl]silane with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of trihydroxy-[3-[(2S,3R,4R,5S,6R)-5-[(2R,3R,4S,5S,6R)-5-methoxy-4-methyl-3-prop-2-enoxy-6-(prop-2-enoxymethyl)oxan-2-yl]oxy-2,4-dimethyl-6-(3-trihydroxysilylpropoxymethyl)oxan-3-yl]oxypropyl]silane?
The IUPAC name of trihydroxy-[3-[(2S,3R,4R,5S,6R)-5-[(2R,3R,4S,5S,6R)-5-methoxy-4-methyl-3-prop-2-enoxy-6-(prop-2-enoxymethyl)oxan-2-yl]oxy-2,4-dimethyl-6-(3-trihydroxysilylpropoxymethyl)oxan-3-yl]oxypropyl]silane (CID 58961503) is trihydroxy-[3-[(2S,3R,4R,5S,6R)-5-[(2R,3R,4S,5S,6R)-5-methoxy-4-methyl-3-prop-2-enoxy-6-(prop-2-enoxymethyl)oxan-2-yl]oxy-2,4-dimethyl-6-(3-trihydroxysilylpropoxymethyl)oxan-3-yl]oxypropyl]silane.
What is the SMILES notation for trihydroxy-[3-[(2S,3R,4R,5S,6R)-5-[(2R,3R,4S,5S,6R)-5-methoxy-4-methyl-3-prop-2-enoxy-6-(prop-2-enoxymethyl)oxan-2-yl]oxy-2,4-dimethyl-6-(3-trihydroxysilylpropoxymethyl)oxan-3-yl]oxypropyl]silane?
The canonical SMILES for trihydroxy-[3-[(2S,3R,4R,5S,6R)-5-[(2R,3R,4S,5S,6R)-5-methoxy-4-methyl-3-prop-2-enoxy-6-(prop-2-enoxymethyl)oxan-2-yl]oxy-2,4-dimethyl-6-(3-trihydroxysilylpropoxymethyl)oxan-3-yl]oxypropyl]silane is C=CCOC[C@H]1O[C@@H](O[C@H]2[C@H](C)[C@@H](OCCC[Si](O)(O)O)[C@H](C)O[C@@H]2COCCC[Si](O)(O)O)[C@H](OCC=C)[C@@H](C)[C@@H]1OC.
What is the InChIKey of trihydroxy-[3-[(2S,3R,4R,5S,6R)-5-[(2R,3R,4S,5S,6R)-5-methoxy-4-methyl-3-prop-2-enoxy-6-(prop-2-enoxymethyl)oxan-2-yl]oxy-2,4-dimethyl-6-(3-trihydroxysilylpropoxymethyl)oxan-3-yl]oxypropyl]silane?
The InChIKey is JVNLNWINBUMGFK-GSBLETTISA-N. The full InChI is InChI=1S/C28H54O14Si2/c1-7-11-36-17-22-25(35-6)20(4)27(38-12-8-2)28(41-22)42-26-19(3)24(39-14-10-16-44(32,33)34)21(5)40-23(26)18-37-13-9-15-43(29,30)31/h7-8,19-34H,1-2,9-18H2,3-6H3/t19-,20+,21+,22-,23-,24-,25+,26+,27-,28+/m1/s1.
What are the key properties of trihydroxy-[3-[(2S,3R,4R,5S,6R)-5-[(2R,3R,4S,5S,6R)-5-methoxy-4-methyl-3-prop-2-enoxy-6-(prop-2-enoxymethyl)oxan-2-yl]oxy-2,4-dimethyl-6-(3-trihydroxysilylpropoxymethyl)oxan-3-yl]oxypropyl]silane?
trihydroxy-[3-[(2S,3R,4R,5S,6R)-5-[(2R,3R,4S,5S,6R)-5-methoxy-4-methyl-3-prop-2-enoxy-6-(prop-2-enoxymethyl)oxan-2-yl]oxy-2,4-dimethyl-6-(3-trihydroxysilylpropoxymethyl)oxan-3-yl]oxypropyl]silane has a molecular weight of 670.90 g/mol, XLogP of -0.04, 21 rotatable bonds, 6 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for trihydroxy-[3-[(2S,3R,4R,5S,6R)-5-[(2R,3R,4S,5S,6R)-5-methoxy-4-methyl-3-prop-2-enoxy-6-(prop-2-enoxymethyl)oxan-2-yl]oxy-2,4-dimethyl-6-(3-trihydroxysilylpropoxymethyl)oxan-3-yl]oxypropyl]silane is sourced from PubChem (CID 58961503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).