(2S,3R,4S,5R,6R)-6-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-methoxypropyl]-2-methoxy-2-[(E,4S)-4-methoxy-5-phenylmethoxypent-1-enyl]-3,5-dimethyloxan-4-ol

C31H54O7Si — CID 11376494

IUPAC(2S,3R,4S,5R,6R)-6-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-methoxypropyl]-2-methoxy-2-[(E,4S)-4-methoxy-5-phenylmethoxypent-1-enyl]-3,5-dimethyloxan-4-ol
SMILESCOC[C@@H](C[C@H]1O[C@](/C=C/C[C@@H](COCc2ccccc2)OC)(OC)[C@H](C)[C@@H](O)[C@H]1C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C31H54O7Si/c1-23-28(19-27(21-33-6)38-39(9,10)30(3,4)5)37-31(35-8,24(2)29(23)32)18-14-17-26(34-7)22-36-20-25-15-12-11-13-16-25/h11-16,18,23-24,26-29,32H,17,19-22H2,1-10H3/b18-14+/t23-,24+,26-,27+,28+,29-,31-/m0/s1
InChIKeyBOVSVXZYKWISRT-XAWNDOQOSA-N
MW566.85 g/mol
LogP5.97
Rot. Bonds15

About (2S,3R,4S,5R,6R)-6-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-methoxypropyl]-2-methoxy-2-[(E,4S)-4-methoxy-5-phenylmethoxypent-1-enyl]-3,5-dimethyloxan-4-ol

(2S,3R,4S,5R,6R)-6-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-methoxypropyl]-2-methoxy-2-[(E,4S)-4-methoxy-5-phenylmethoxypent-1-enyl]-3,5-dimethyloxan-4-ol (PubChem CID 11376494) has the molecular formula C31H54O7Si and a molecular weight of 566.85 g/mol. Its IUPAC name is (2S,3R,4S,5R,6R)-6-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-methoxypropyl]-2-methoxy-2-[(E,4S)-4-methoxy-5-phenylmethoxypent-1-enyl]-3,5-dimethyloxan-4-ol.

Molecular Properties

Compound Name(2S,3R,4S,5R,6R)-6-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-methoxypropyl]-2-methoxy-2-[(E,4S)-4-methoxy-5-phenylmethoxypent-1-enyl]-3,5-dimethyloxan-4-ol
PubChem CID11376494
Molecular FormulaC31H54O7Si
Molecular Weight566.85 g/mol
Exact Mass566.36
IUPAC Name(2S,3R,4S,5R,6R)-6-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-methoxypropyl]-2-methoxy-2-[(E,4S)-4-methoxy-5-phenylmethoxypent-1-enyl]-3,5-dimethyloxan-4-ol
SMILESCOC[C@@H](C[C@H]1O[C@](/C=C/C[C@@H](COCc2ccccc2)OC)(OC)[C@H](C)[C@@H](O)[C@H]1C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C31H54O7Si/c1-23-28(19-27(21-33-6)38-39(9,10)30(3,4)5)37-31(35-8,24(2)29(23)32)18-14-17-26(34-7)22-36-20-25-15-12-11-13-16-25/h11-16,18,23-24,26-29,32H,17,19-22H2,1-10H3/b18-14+/t23-,24+,26-,27+,28+,29-,31-/m0/s1
InChIKeyBOVSVXZYKWISRT-XAWNDOQOSA-N
XLogP5.97
TPSA75.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds15
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.85
LogP ≤ 55.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze (2S,3R,4S,5R,6R)-6-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-methoxypropyl]-2-methoxy-2-[(E,4S)-4-methoxy-5-phenylmethoxypent-1-enyl]-3,5-dimethyloxan-4-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

[(2R,3S)-3-[(3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-phenylmethoxybutyl]-2-methyloxiran-2-yl]methanol
CID 11825080
4-[tert-butyl(dimethyl)silyl]oxy-1-hydroxy-5-phenylmethoxypentan-2-one
CID 85424805
tert-butyl-[(2S)-1-fluoro-3-phenylmethoxypropan-2-yl]oxy-dimethylsilane
CID 140735332
(E,5S)-5-methoxy-6-phenylmethoxyhex-2-en-1-ol
CID 135076282
(E,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4,6-bis(phenylmethoxy)hex-2-en-1-ol
CID 102359396
tert-butyl-dimethyl-[(2S,3S)-2-methyl-1-phenylmethoxyhex-5-en-3-yl]oxysilane
CID 10969702
methyl (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-4-phenylmethoxybutanoate
CID 164887761
[(9R)-9-[tert-butyl(dimethyl)silyl]oxy-10-phenylmethoxydecyl]-triphenylphosphanium iodide
CID 11228048
(4S,5R)-5-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(4-methoxyphenyl)methoxy]propyl]-4-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde
CID 16719518
(2R)-1-[(2R,3R,4R,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-3,5-dimethyloxan-2-yl]-3-phenylmethoxypropan-2-ol
CID 11453443
methyl (E,5R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-5-methyl-7-phenylmethoxyhept-3-enoate
CID 134881146
(5S,6R,7R,8R)-7-[tert-butyl(dimethyl)silyl]oxy-6-methyl-8-[(4R,5R,6S)-2,2,5-trimethyl-6-[(2S)-1-phenylmethoxypropan-2-yl]-1,3-dioxan-4-yl]non-1-en-5-ol
CID 71697287

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4S,5R,6R)-6-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-methoxypropyl]-2-methoxy-2-[(E,4S)-4-methoxy-5-phenylmethoxypent-1-enyl]-3,5-dimethyloxan-4-ol?
The IUPAC name of (2S,3R,4S,5R,6R)-6-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-methoxypropyl]-2-methoxy-2-[(E,4S)-4-methoxy-5-phenylmethoxypent-1-enyl]-3,5-dimethyloxan-4-ol (CID 11376494) is (2S,3R,4S,5R,6R)-6-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-methoxypropyl]-2-methoxy-2-[(E,4S)-4-methoxy-5-phenylmethoxypent-1-enyl]-3,5-dimethyloxan-4-ol.
What is the SMILES notation for (2S,3R,4S,5R,6R)-6-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-methoxypropyl]-2-methoxy-2-[(E,4S)-4-methoxy-5-phenylmethoxypent-1-enyl]-3,5-dimethyloxan-4-ol?
The canonical SMILES for (2S,3R,4S,5R,6R)-6-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-methoxypropyl]-2-methoxy-2-[(E,4S)-4-methoxy-5-phenylmethoxypent-1-enyl]-3,5-dimethyloxan-4-ol is COC[C@@H](C[C@H]1O[C@](/C=C/C[C@@H](COCc2ccccc2)OC)(OC)[C@H](C)[C@@H](O)[C@H]1C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2S,3R,4S,5R,6R)-6-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-methoxypropyl]-2-methoxy-2-[(E,4S)-4-methoxy-5-phenylmethoxypent-1-enyl]-3,5-dimethyloxan-4-ol?
The InChIKey is BOVSVXZYKWISRT-XAWNDOQOSA-N. The full InChI is InChI=1S/C31H54O7Si/c1-23-28(19-27(21-33-6)38-39(9,10)30(3,4)5)37-31(35-8,24(2)29(23)32)18-14-17-26(34-7)22-36-20-25-15-12-11-13-16-25/h11-16,18,23-24,26-29,32H,17,19-22H2,1-10H3/b18-14+/t23-,24+,26-,27+,28+,29-,31-/m0/s1.
What are the key properties of (2S,3R,4S,5R,6R)-6-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-methoxypropyl]-2-methoxy-2-[(E,4S)-4-methoxy-5-phenylmethoxypent-1-enyl]-3,5-dimethyloxan-4-ol?
(2S,3R,4S,5R,6R)-6-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-methoxypropyl]-2-methoxy-2-[(E,4S)-4-methoxy-5-phenylmethoxypent-1-enyl]-3,5-dimethyloxan-4-ol has a molecular weight of 566.85 g/mol, XLogP of 5.97, 15 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4S,5R,6R)-6-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-methoxypropyl]-2-methoxy-2-[(E,4S)-4-methoxy-5-phenylmethoxypent-1-enyl]-3,5-dimethyloxan-4-ol is sourced from PubChem (CID 11376494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).