(2R)-2-[(2S,5S,6R)-6-[(E)-5-[tert-butyl(diphenyl)silyl]oxy-3-methylpent-3-enyl]-5-(methoxymethoxy)-5-methyloxan-2-yl]propane-1,2-diol

C33H50O6Si — CID 11444508

IUPAC(2R)-2-[(2S,5S,6R)-6-[(E)-5-[tert-butyl(diphenyl)silyl]oxy-3-methylpent-3-enyl]-5-(methoxymethoxy)-5-methyloxan-2-yl]propane-1,2-diol
SMILESCOCO[C@@]1(C)CC[C@@H]([C@](C)(O)CO)O[C@@H]1CC/C(C)=C/CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C33H50O6Si/c1-26(18-19-30-33(6,37-25-36-7)22-20-29(39-30)32(5,35)24-34)21-23-38-40(31(2,3)4,27-14-10-8-11-15-27)28-16-12-9-13-17-28/h8-17,21,29-30,34-35H,18-20,22-25H2,1-7H3/b26-21+/t29-,30+,32+,33-/m0/s1
InChIKeyGLKFDNYUVARDQK-MFJMSCRQSA-N
MW570.84 g/mol
LogP4.96
Rot. Bonds13

About (2R)-2-[(2S,5S,6R)-6-[(E)-5-[tert-butyl(diphenyl)silyl]oxy-3-methylpent-3-enyl]-5-(methoxymethoxy)-5-methyloxan-2-yl]propane-1,2-diol

(2R)-2-[(2S,5S,6R)-6-[(E)-5-[tert-butyl(diphenyl)silyl]oxy-3-methylpent-3-enyl]-5-(methoxymethoxy)-5-methyloxan-2-yl]propane-1,2-diol (PubChem CID 11444508) has the molecular formula C33H50O6Si and a molecular weight of 570.84 g/mol. Its IUPAC name is (2R)-2-[(2S,5S,6R)-6-[(E)-5-[tert-butyl(diphenyl)silyl]oxy-3-methylpent-3-enyl]-5-(methoxymethoxy)-5-methyloxan-2-yl]propane-1,2-diol.

Molecular Properties

Compound Name(2R)-2-[(2S,5S,6R)-6-[(E)-5-[tert-butyl(diphenyl)silyl]oxy-3-methylpent-3-enyl]-5-(methoxymethoxy)-5-methyloxan-2-yl]propane-1,2-diol
PubChem CID11444508
Molecular FormulaC33H50O6Si
Molecular Weight570.84 g/mol
Exact Mass570.34
IUPAC Name(2R)-2-[(2S,5S,6R)-6-[(E)-5-[tert-butyl(diphenyl)silyl]oxy-3-methylpent-3-enyl]-5-(methoxymethoxy)-5-methyloxan-2-yl]propane-1,2-diol
SMILESCOCO[C@@]1(C)CC[C@@H]([C@](C)(O)CO)O[C@@H]1CC/C(C)=C/CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C33H50O6Si/c1-26(18-19-30-33(6,37-25-36-7)22-20-29(39-30)32(5,35)24-34)21-23-38-40(31(2,3)4,27-14-10-8-11-15-27)28-16-12-9-13-17-28/h8-17,21,29-30,34-35H,18-20,22-25H2,1-7H3/b26-21+/t29-,30+,32+,33-/m0/s1
InChIKeyGLKFDNYUVARDQK-MFJMSCRQSA-N
XLogP4.96
TPSA77.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500570.84
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(2R,3R,4S,5R,6S)-4-heptoxy-2-(2-methylpropyl)-5,6-bis(phenylmethoxy)oxan-3-ol
CID 44385717
(2S,4S,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methoxy-3,3-dimethyloxan-4-ol
CID 11974074
(2S,4R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methoxy-3,3-dimethyloxan-4-ol
CID 11974075
2-(([Tert-butyl(diphenyl)silyl]oxy)methyl)-6-methoxytetrahydro-2H-pyran-3,4,5-triol
CID 3319542
(2R,4R)-5-[tert-butyl(diphenyl)silyl]oxy-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methylpentan-2-ol
CID 140702952
(2R,3S,5R,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5,6-dimethoxyoxan-3-ol
CID 18646869
(2R,3S,4R,5S,6S)-3-benzyl-4-[tert-butyl(dimethyl)silyl]-5-fluoro-6-methoxy-2-methyloxane-3,4-diol
CID 57293323
(2R,3R,4S,5R,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methoxy-4,5-bis(phenylmethoxy)oxan-3-ol
CID 13871830
(E,2R,3S,4R,5R)-1-[tert-butyl(dimethyl)silyl]oxy-5-(methoxymethoxy)-2,3-bis(phenylmethoxy)oct-6-en-4-ol
CID 10052739
(E,2S,3S,4S,5S)-1-[tert-butyl(dimethyl)silyl]oxy-5-(methoxymethoxy)-2,3-bis(phenylmethoxy)oct-6-en-4-ol
CID 10392236
2-[(3'S,3'aS)-3'-[tert-butyl(diphenyl)silyl]oxy-3'a-methylspiro[1,3-dioxolane-2,6'-3,4,5,7-tetrahydro-2H-indene]-1'-yl]propan-2-ol
CID 10458877
(E,2S,3S,4R,5R)-1-[tert-butyl(dimethyl)silyl]oxy-5-(methoxymethoxy)-2,3-bis(phenylmethoxy)oct-6-en-4-ol
CID 10506405

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2S,5S,6R)-6-[(E)-5-[tert-butyl(diphenyl)silyl]oxy-3-methylpent-3-enyl]-5-(methoxymethoxy)-5-methyloxan-2-yl]propane-1,2-diol?
The IUPAC name of (2R)-2-[(2S,5S,6R)-6-[(E)-5-[tert-butyl(diphenyl)silyl]oxy-3-methylpent-3-enyl]-5-(methoxymethoxy)-5-methyloxan-2-yl]propane-1,2-diol (CID 11444508) is (2R)-2-[(2S,5S,6R)-6-[(E)-5-[tert-butyl(diphenyl)silyl]oxy-3-methylpent-3-enyl]-5-(methoxymethoxy)-5-methyloxan-2-yl]propane-1,2-diol.
What is the SMILES notation for (2R)-2-[(2S,5S,6R)-6-[(E)-5-[tert-butyl(diphenyl)silyl]oxy-3-methylpent-3-enyl]-5-(methoxymethoxy)-5-methyloxan-2-yl]propane-1,2-diol?
The canonical SMILES for (2R)-2-[(2S,5S,6R)-6-[(E)-5-[tert-butyl(diphenyl)silyl]oxy-3-methylpent-3-enyl]-5-(methoxymethoxy)-5-methyloxan-2-yl]propane-1,2-diol is COCO[C@@]1(C)CC[C@@H]([C@](C)(O)CO)O[C@@H]1CC/C(C)=C/CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of (2R)-2-[(2S,5S,6R)-6-[(E)-5-[tert-butyl(diphenyl)silyl]oxy-3-methylpent-3-enyl]-5-(methoxymethoxy)-5-methyloxan-2-yl]propane-1,2-diol?
The InChIKey is GLKFDNYUVARDQK-MFJMSCRQSA-N. The full InChI is InChI=1S/C33H50O6Si/c1-26(18-19-30-33(6,37-25-36-7)22-20-29(39-30)32(5,35)24-34)21-23-38-40(31(2,3)4,27-14-10-8-11-15-27)28-16-12-9-13-17-28/h8-17,21,29-30,34-35H,18-20,22-25H2,1-7H3/b26-21+/t29-,30+,32+,33-/m0/s1.
What are the key properties of (2R)-2-[(2S,5S,6R)-6-[(E)-5-[tert-butyl(diphenyl)silyl]oxy-3-methylpent-3-enyl]-5-(methoxymethoxy)-5-methyloxan-2-yl]propane-1,2-diol?
(2R)-2-[(2S,5S,6R)-6-[(E)-5-[tert-butyl(diphenyl)silyl]oxy-3-methylpent-3-enyl]-5-(methoxymethoxy)-5-methyloxan-2-yl]propane-1,2-diol has a molecular weight of 570.84 g/mol, XLogP of 4.96, 13 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2S,5S,6R)-6-[(E)-5-[tert-butyl(diphenyl)silyl]oxy-3-methylpent-3-enyl]-5-(methoxymethoxy)-5-methyloxan-2-yl]propane-1,2-diol is sourced from PubChem (CID 11444508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).