(2S,4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-[(2S,3R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-2-pentyloxolan-3-yl]-2-pentyloxolan-3-one

C32H64O6Si2 — CID 25186596

IUPAC(2S,4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-[(2S,3R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-2-pentyloxolan-3-yl]-2-pentyloxolan-3-one
SMILESCCCCC[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H]([C@]2(O)C[C@@H](CO[Si](C)(C)C(C)(C)C)O[C@H]2CCCCC)C1=O
InChIInChI=1S/C32H64O6Si2/c1-13-15-17-19-25-29(33)28(26(38-25)23-36-40(11,12)31(6,7)8)32(34)21-24(37-27(32)20-18-16-14-2)22-35-39(9,10)30(3,4)5/h24-28,34H,13-23H2,1-12H3/t24-,25-,26+,27-,28+,32-/m0/s1
InChIKeyMGZKPAPXVQGJEI-JRAUOLTPSA-N
MW601.03 g/mol
LogP8.03
Rot. Bonds15

About (2S,4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-[(2S,3R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-2-pentyloxolan-3-yl]-2-pentyloxolan-3-one

(2S,4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-[(2S,3R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-2-pentyloxolan-3-yl]-2-pentyloxolan-3-one (PubChem CID 25186596) has the molecular formula C32H64O6Si2 and a molecular weight of 601.03 g/mol. Its IUPAC name is (2S,4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-[(2S,3R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-2-pentyloxolan-3-yl]-2-pentyloxolan-3-one.

Molecular Properties

Compound Name(2S,4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-[(2S,3R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-2-pentyloxolan-3-yl]-2-pentyloxolan-3-one
PubChem CID25186596
Molecular FormulaC32H64O6Si2
Molecular Weight601.03 g/mol
Exact Mass600.42
IUPAC Name(2S,4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-[(2S,3R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-2-pentyloxolan-3-yl]-2-pentyloxolan-3-one
SMILESCCCCC[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H]([C@]2(O)C[C@@H](CO[Si](C)(C)C(C)(C)C)O[C@H]2CCCCC)C1=O
InChIInChI=1S/C32H64O6Si2/c1-13-15-17-19-25-29(33)28(26(38-25)23-36-40(11,12)31(6,7)8)32(34)21-24(37-27(32)20-18-16-14-2)22-35-39(9,10)30(3,4)5/h24-28,34H,13-23H2,1-12H3/t24-,25-,26+,27-,28+,32-/m0/s1
InChIKeyMGZKPAPXVQGJEI-JRAUOLTPSA-N
XLogP8.03
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500601.03
LogP ≤ 58.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (2S,4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-[(2S,3R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-2-pentyloxolan-3-yl]-2-pentyloxolan-3-one with MolForge

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Related Compounds

(3S,4S,6S,7S,8R,9R)-7,8,9-tris[[tert-butyl(dimethyl)silyl]oxy]-3-hydroxy-3,6-dimethyl-5-oxaspiro[3.5]nonan-2-one
CID 23631141
(2S,3R,5R,6S,7S,8R,10R)-10-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxy-11-methoxy-5,7-dimethyl-6,8-bis(trimethylsilyloxy)undecan-4-one
CID 11028171
(4S,6S,7S,8R,9R)-7,8,9-tris[[tert-butyl(dimethyl)silyl]oxy]-3-hydroxy-3,6-dimethyl-5-oxaspiro[3.5]nonan-2-one
CID 134866555
dimethyl (2R,3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-dodecyl-3-hydroxyoxolane-2,3-dicarboxylate
CID 135020847
(2R,3R,4S)-7-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-3-methoxy-4-methyl-5-tri(propan-2-yl)silyloxycycloheptan-1-one
CID 9982359
(2R,3R,4R,5S,7S)-7-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-3-methoxy-4-methyl-5-tri(propan-2-yl)silyloxycycloheptan-1-one
CID 12061297
(3R,4S,5R,6R,7R,9R,10S,11S,13R,14R)-4,10-bis[[tert-butyl(dimethyl)silyl]oxy]-14-ethyl-6,7,13-trihydroxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,12-dione
CID 90320423
(1R,4S,7R,8R,10S,11S,12R)-4,11-dihydroxy-8-methyl-8,10-bis(triethylsilyloxy)-11-[(2R)-1-tri(propan-2-yl)silyloxypropan-2-yl]-2,13-dioxatricyclo[5.4.2.04,12]tridecan-3-one
CID 24786347
(1S,4S,7R,8R,10S,11S,12R)-4,11-dihydroxy-8-methyl-8,10-bis(triethylsilyloxy)-11-[(2R)-1-tri(propan-2-yl)silyloxypropan-2-yl]-2,13-dioxatricyclo[5.4.2.04,12]tridecan-3-one
CID 24786429
(2R,4R,5S,6R,7S,8S)-1-[tert-butyl(dimethyl)silyl]oxy-5,7,9-trihydroxy-4-methoxy-2,6,8-trimethylnonan-3-one
CID 101772719
(1R,4S,7R,8R,10S,11S,12R)-4,11-dihydroxy-8-methyl-8,10-bis(triethylsilyloxy)-11-[(2S)-1-tri(propan-2-yl)silyloxypropan-2-yl]-2,13-dioxatricyclo[5.4.2.04,12]tridecan-3-one
CID 101856973

Frequently Asked Questions

What is the IUPAC name of (2S,4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-[(2S,3R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-2-pentyloxolan-3-yl]-2-pentyloxolan-3-one?
The IUPAC name of (2S,4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-[(2S,3R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-2-pentyloxolan-3-yl]-2-pentyloxolan-3-one (CID 25186596) is (2S,4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-[(2S,3R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-2-pentyloxolan-3-yl]-2-pentyloxolan-3-one.
What is the SMILES notation for (2S,4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-[(2S,3R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-2-pentyloxolan-3-yl]-2-pentyloxolan-3-one?
The canonical SMILES for (2S,4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-[(2S,3R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-2-pentyloxolan-3-yl]-2-pentyloxolan-3-one is CCCCC[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H]([C@]2(O)C[C@@H](CO[Si](C)(C)C(C)(C)C)O[C@H]2CCCCC)C1=O.
What is the InChIKey of (2S,4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-[(2S,3R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-2-pentyloxolan-3-yl]-2-pentyloxolan-3-one?
The InChIKey is MGZKPAPXVQGJEI-JRAUOLTPSA-N. The full InChI is InChI=1S/C32H64O6Si2/c1-13-15-17-19-25-29(33)28(26(38-25)23-36-40(11,12)31(6,7)8)32(34)21-24(37-27(32)20-18-16-14-2)22-35-39(9,10)30(3,4)5/h24-28,34H,13-23H2,1-12H3/t24-,25-,26+,27-,28+,32-/m0/s1.
What are the key properties of (2S,4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-[(2S,3R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-2-pentyloxolan-3-yl]-2-pentyloxolan-3-one?
(2S,4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-[(2S,3R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-2-pentyloxolan-3-yl]-2-pentyloxolan-3-one has a molecular weight of 601.03 g/mol, XLogP of 8.03, 15 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-[(2S,3R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-2-pentyloxolan-3-yl]-2-pentyloxolan-3-one is sourced from PubChem (CID 25186596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).