methyl 2-[(2R,4S,6S)-6-[(E,2S)-2-[tert-butyl(dimethyl)silyl]oxypent-3-enyl]-4-[(2S,3R,4S,5R)-3,4,5-trimethoxyoxan-2-yl]oxyoxan-2-yl]acetate

C27H50O9Si — CID 24862398

IUPACmethyl 2-[(2R,4S,6S)-6-[(E,2S)-2-[tert-butyl(dimethyl)silyl]oxypent-3-enyl]-4-[(2S,3R,4S,5R)-3,4,5-trimethoxyoxan-2-yl]oxyoxan-2-yl]acetate
SMILESC/C=C/[C@H](C[C@@H]1C[C@H](O[C@@H]2OC[C@@H](OC)[C@H](OC)[C@H]2OC)C[C@H](CC(=O)OC)O1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C27H50O9Si/c1-11-12-18(36-37(9,10)27(2,3)4)13-19-14-20(15-21(34-19)16-23(28)30-6)35-26-25(32-8)24(31-7)22(29-5)17-33-26/h11-12,18-22,24-26H,13-17H2,1-10H3/b12-11+/t18-,19-,20+,21-,22-,24+,25-,26+/m1/s1
InChIKeyJPGWXDYZBBXNDF-LTDDLWTMSA-N
MW546.77 g/mol
LogP4.24
Rot. Bonds12

About methyl 2-[(2R,4S,6S)-6-[(E,2S)-2-[tert-butyl(dimethyl)silyl]oxypent-3-enyl]-4-[(2S,3R,4S,5R)-3,4,5-trimethoxyoxan-2-yl]oxyoxan-2-yl]acetate

methyl 2-[(2R,4S,6S)-6-[(E,2S)-2-[tert-butyl(dimethyl)silyl]oxypent-3-enyl]-4-[(2S,3R,4S,5R)-3,4,5-trimethoxyoxan-2-yl]oxyoxan-2-yl]acetate (PubChem CID 24862398) has the molecular formula C27H50O9Si and a molecular weight of 546.77 g/mol. Its IUPAC name is methyl 2-[(2R,4S,6S)-6-[(E,2S)-2-[tert-butyl(dimethyl)silyl]oxypent-3-enyl]-4-[(2S,3R,4S,5R)-3,4,5-trimethoxyoxan-2-yl]oxyoxan-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[(2R,4S,6S)-6-[(E,2S)-2-[tert-butyl(dimethyl)silyl]oxypent-3-enyl]-4-[(2S,3R,4S,5R)-3,4,5-trimethoxyoxan-2-yl]oxyoxan-2-yl]acetate
PubChem CID24862398
Molecular FormulaC27H50O9Si
Molecular Weight546.77 g/mol
Exact Mass546.32
IUPAC Namemethyl 2-[(2R,4S,6S)-6-[(E,2S)-2-[tert-butyl(dimethyl)silyl]oxypent-3-enyl]-4-[(2S,3R,4S,5R)-3,4,5-trimethoxyoxan-2-yl]oxyoxan-2-yl]acetate
SMILESC/C=C/[C@H](C[C@@H]1C[C@H](O[C@@H]2OC[C@@H](OC)[C@H](OC)[C@H]2OC)C[C@H](CC(=O)OC)O1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C27H50O9Si/c1-11-12-18(36-37(9,10)27(2,3)4)13-19-14-20(15-21(34-19)16-23(28)30-6)35-26-25(32-8)24(31-7)22(29-5)17-33-26/h11-12,18-22,24-26H,13-17H2,1-10H3/b12-11+/t18-,19-,20+,21-,22-,24+,25-,26+/m1/s1
InChIKeyJPGWXDYZBBXNDF-LTDDLWTMSA-N
XLogP4.24
TPSA90.91 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500546.77
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze methyl 2-[(2R,4S,6S)-6-[(E,2S)-2-[tert-butyl(dimethyl)silyl]oxypent-3-enyl]-4-[(2S,3R,4S,5R)-3,4,5-trimethoxyoxan-2-yl]oxyoxan-2-yl]acetate 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 methyl 2-[(2R,4S,6S)-6-[(E,2S)-2-[tert-butyl(dimethyl)silyl]oxypent-3-enyl]-4-[(2S,3R,4S,5R)-3,4,5-trimethoxyoxan-2-yl]oxyoxan-2-yl]acetate?
The IUPAC name of methyl 2-[(2R,4S,6S)-6-[(E,2S)-2-[tert-butyl(dimethyl)silyl]oxypent-3-enyl]-4-[(2S,3R,4S,5R)-3,4,5-trimethoxyoxan-2-yl]oxyoxan-2-yl]acetate (CID 24862398) is methyl 2-[(2R,4S,6S)-6-[(E,2S)-2-[tert-butyl(dimethyl)silyl]oxypent-3-enyl]-4-[(2S,3R,4S,5R)-3,4,5-trimethoxyoxan-2-yl]oxyoxan-2-yl]acetate.
What is the SMILES notation for methyl 2-[(2R,4S,6S)-6-[(E,2S)-2-[tert-butyl(dimethyl)silyl]oxypent-3-enyl]-4-[(2S,3R,4S,5R)-3,4,5-trimethoxyoxan-2-yl]oxyoxan-2-yl]acetate?
The canonical SMILES for methyl 2-[(2R,4S,6S)-6-[(E,2S)-2-[tert-butyl(dimethyl)silyl]oxypent-3-enyl]-4-[(2S,3R,4S,5R)-3,4,5-trimethoxyoxan-2-yl]oxyoxan-2-yl]acetate is C/C=C/[C@H](C[C@@H]1C[C@H](O[C@@H]2OC[C@@H](OC)[C@H](OC)[C@H]2OC)C[C@H](CC(=O)OC)O1)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of methyl 2-[(2R,4S,6S)-6-[(E,2S)-2-[tert-butyl(dimethyl)silyl]oxypent-3-enyl]-4-[(2S,3R,4S,5R)-3,4,5-trimethoxyoxan-2-yl]oxyoxan-2-yl]acetate?
The InChIKey is JPGWXDYZBBXNDF-LTDDLWTMSA-N. The full InChI is InChI=1S/C27H50O9Si/c1-11-12-18(36-37(9,10)27(2,3)4)13-19-14-20(15-21(34-19)16-23(28)30-6)35-26-25(32-8)24(31-7)22(29-5)17-33-26/h11-12,18-22,24-26H,13-17H2,1-10H3/b12-11+/t18-,19-,20+,21-,22-,24+,25-,26+/m1/s1.
What are the key properties of methyl 2-[(2R,4S,6S)-6-[(E,2S)-2-[tert-butyl(dimethyl)silyl]oxypent-3-enyl]-4-[(2S,3R,4S,5R)-3,4,5-trimethoxyoxan-2-yl]oxyoxan-2-yl]acetate?
methyl 2-[(2R,4S,6S)-6-[(E,2S)-2-[tert-butyl(dimethyl)silyl]oxypent-3-enyl]-4-[(2S,3R,4S,5R)-3,4,5-trimethoxyoxan-2-yl]oxyoxan-2-yl]acetate has a molecular weight of 546.77 g/mol, XLogP of 4.24, 12 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2R,4S,6S)-6-[(E,2S)-2-[tert-butyl(dimethyl)silyl]oxypent-3-enyl]-4-[(2S,3R,4S,5R)-3,4,5-trimethoxyoxan-2-yl]oxyoxan-2-yl]acetate is sourced from PubChem (CID 24862398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).