(2R,3R)-4-[(2R,4S,6S,8S,10S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-10-methoxy-1,7-dioxaspiro[5.5]undecan-8-yl]-3-[(4-methoxyphenyl)methoxy]-2-methylbutanal

C46H68O8Si2 — CID 11205089

IUPAC(2R,3R)-4-[(2R,4S,6S,8S,10S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-10-methoxy-1,7-dioxaspiro[5.5]undecan-8-yl]-3-[(4-methoxyphenyl)methoxy]-2-methylbutanal
SMILESCOc1ccc(CO[C@H](C[C@@H]2C[C@H](OC)C[C@]3(C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H](CO[Si](c4ccccc4)(c4ccccc4)C(C)(C)C)O3)O2)[C@@H](C)C=O)cc1
InChIInChI=1S/C46H68O8Si2/c1-34(31-47)43(50-32-35-22-24-36(48-8)25-23-35)28-37-26-38(49-9)29-46(52-37)30-39(54-55(10,11)44(2,3)4)27-40(53-46)33-51-56(45(5,6)7,41-18-14-12-15-19-41)42-20-16-13-17-21-42/h12-25,31,34,37-40,43H,26-30,32-33H2,1-11H3/t34-,37-,38-,39-,40+,43+,46-/m0/s1
InChIKeyRNMDTSWBHGFSGB-GFOSOHTLSA-N
MW805.21 g/mol
LogP8.84
Rot. Bonds16

About (2R,3R)-4-[(2R,4S,6S,8S,10S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-10-methoxy-1,7-dioxaspiro[5.5]undecan-8-yl]-3-[(4-methoxyphenyl)methoxy]-2-methylbutanal

(2R,3R)-4-[(2R,4S,6S,8S,10S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-10-methoxy-1,7-dioxaspiro[5.5]undecan-8-yl]-3-[(4-methoxyphenyl)methoxy]-2-methylbutanal (PubChem CID 11205089) has the molecular formula C46H68O8Si2 and a molecular weight of 805.21 g/mol. Its IUPAC name is (2R,3R)-4-[(2R,4S,6S,8S,10S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-10-methoxy-1,7-dioxaspiro[5.5]undecan-8-yl]-3-[(4-methoxyphenyl)methoxy]-2-methylbutanal.

Molecular Properties

Compound Name(2R,3R)-4-[(2R,4S,6S,8S,10S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-10-methoxy-1,7-dioxaspiro[5.5]undecan-8-yl]-3-[(4-methoxyphenyl)methoxy]-2-methylbutanal
PubChem CID11205089
Molecular FormulaC46H68O8Si2
Molecular Weight805.21 g/mol
Exact Mass804.45
IUPAC Name(2R,3R)-4-[(2R,4S,6S,8S,10S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-10-methoxy-1,7-dioxaspiro[5.5]undecan-8-yl]-3-[(4-methoxyphenyl)methoxy]-2-methylbutanal
SMILESCOc1ccc(CO[C@H](C[C@@H]2C[C@H](OC)C[C@]3(C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H](CO[Si](c4ccccc4)(c4ccccc4)C(C)(C)C)O3)O2)[C@@H](C)C=O)cc1
InChIInChI=1S/C46H68O8Si2/c1-34(31-47)43(50-32-35-22-24-36(48-8)25-23-35)28-37-26-38(49-9)29-46(52-37)30-39(54-55(10,11)44(2,3)4)27-40(53-46)33-51-56(45(5,6)7,41-18-14-12-15-19-41)42-20-16-13-17-21-42/h12-25,31,34,37-40,43H,26-30,32-33H2,1-11H3/t34-,37-,38-,39-,40+,43+,46-/m0/s1
InChIKeyRNMDTSWBHGFSGB-GFOSOHTLSA-N
XLogP8.84
TPSA81.68 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds16
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500805.21
LogP ≤ 58.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze (2R,3R)-4-[(2R,4S,6S,8S,10S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-10-methoxy-1,7-dioxaspiro[5.5]undecan-8-yl]-3-[(4-methoxyphenyl)methoxy]-2-methylbutanal with MolForge

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Related Compounds

(3R,4R,6S)-7-[tert-butyl(diphenyl)silyl]oxy-3-[(4-methoxyphenyl)methoxy]-4,6-dimethylheptanal
CID 23636317
[(2S,4S,6R,8S,10S)-2-[(3R,4S,5R,6R)-4-acetyloxy-7-[(2R,4S,6S,8S,10S)-4-[tert-butyl(dimethyl)silyl]oxy-10-methoxy-2-(phenylmethoxymethyl)-1,7-dioxaspiro[5.5]undecan-8-yl]-3,5-dimethyl-2-methylidene-6-(phenylmethoxymethoxy)heptyl]-8-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-hydroxy-4-methyl-1,7-dioxaspiro[5.5]undecan-10-yl] acetate
CID 11389206
5-[tert-butyl(diphenyl)silyl]oxy-3-[(4-methoxyphenyl)methoxy]pentanal
CID 75162787
[(2R)-4-[tert-butyl(dimethyl)silyl]oxy-1-[(2S,4S,6R,8S,10S)-10-[tert-butyl(dimethyl)silyl]oxy-8-[2-(2,2-dimethylpropanoyloxy)ethyl]-4-methoxy-1,7-dioxaspiro[5.5]undecan-2-yl]butan-2-yl] 4-methoxybenzoate
CID 46201857
(3S,4S)-6-[tert-butyl(diphenyl)silyl]oxy-4-[(4-methoxyphenyl)methoxy]-3-phenylmethoxyhexan-2-one
CID 11753665
tert-butyl-[(2S)-14-[tert-butyl(dimethyl)silyl]oxy-2-[(4-methoxyphenyl)methoxy]tetradecoxy]-diphenylsilane
CID 101416747
(1R,2S)-1-[(3aS,4R,6S,7aS)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]-3-[(4-methoxyphenyl)methoxy]propane-1,2-diol
CID 102112676
[(2R,3R)-1-[(4S,6R)-6-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(4-methoxyphenyl)methoxy]ethyl]-2,2-dimethyl-1,3-dioxan-4-yl]-3-(phenylmethoxymethoxy)butan-2-yl] 2,2-dimethylpropanoate
CID 11320021
methyl (1S,2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-[(4-methoxyphenyl)methoxy]cyclopent-3-ene-1-carboxylate
CID 102211154
(2S,6R,7S)-9,9-dibromo-1-[(2R,6R)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]oxan-2-yl]-2-hydroxy-6-[(4-methoxyphenyl)methoxy]-7-methylnon-8-en-4-one
CID 11600334
methyl (2E)-2-[(2S,6S)-2-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-3-hydroxy-6-[(2R,3S)-2-[(4-methoxyphenyl)methoxy]-3-phenylmethoxybutyl]-2-methyloxan-4-ylidene]acetate
CID 146029024
(4R,6S)-6-[(2S)-5-[(2S,4Z,6R)-6-[(E)-4-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylbut-1-enyl]-4-(trimethylsilylmethylidene)oxan-2-yl]-2-[(4-methoxyphenyl)methoxy]-3,3-dimethyl-4-oxopentyl]-4-[tert-butyl(diphenyl)silyl]oxyoxan-2-one
CID 25146571

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-4-[(2R,4S,6S,8S,10S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-10-methoxy-1,7-dioxaspiro[5.5]undecan-8-yl]-3-[(4-methoxyphenyl)methoxy]-2-methylbutanal?
The IUPAC name of (2R,3R)-4-[(2R,4S,6S,8S,10S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-10-methoxy-1,7-dioxaspiro[5.5]undecan-8-yl]-3-[(4-methoxyphenyl)methoxy]-2-methylbutanal (CID 11205089) is (2R,3R)-4-[(2R,4S,6S,8S,10S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-10-methoxy-1,7-dioxaspiro[5.5]undecan-8-yl]-3-[(4-methoxyphenyl)methoxy]-2-methylbutanal.
What is the SMILES notation for (2R,3R)-4-[(2R,4S,6S,8S,10S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-10-methoxy-1,7-dioxaspiro[5.5]undecan-8-yl]-3-[(4-methoxyphenyl)methoxy]-2-methylbutanal?
The canonical SMILES for (2R,3R)-4-[(2R,4S,6S,8S,10S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-10-methoxy-1,7-dioxaspiro[5.5]undecan-8-yl]-3-[(4-methoxyphenyl)methoxy]-2-methylbutanal is COc1ccc(CO[C@H](C[C@@H]2C[C@H](OC)C[C@]3(C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H](CO[Si](c4ccccc4)(c4ccccc4)C(C)(C)C)O3)O2)[C@@H](C)C=O)cc1.
What is the InChIKey of (2R,3R)-4-[(2R,4S,6S,8S,10S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-10-methoxy-1,7-dioxaspiro[5.5]undecan-8-yl]-3-[(4-methoxyphenyl)methoxy]-2-methylbutanal?
The InChIKey is RNMDTSWBHGFSGB-GFOSOHTLSA-N. The full InChI is InChI=1S/C46H68O8Si2/c1-34(31-47)43(50-32-35-22-24-36(48-8)25-23-35)28-37-26-38(49-9)29-46(52-37)30-39(54-55(10,11)44(2,3)4)27-40(53-46)33-51-56(45(5,6)7,41-18-14-12-15-19-41)42-20-16-13-17-21-42/h12-25,31,34,37-40,43H,26-30,32-33H2,1-11H3/t34-,37-,38-,39-,40+,43+,46-/m0/s1.
What are the key properties of (2R,3R)-4-[(2R,4S,6S,8S,10S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-10-methoxy-1,7-dioxaspiro[5.5]undecan-8-yl]-3-[(4-methoxyphenyl)methoxy]-2-methylbutanal?
(2R,3R)-4-[(2R,4S,6S,8S,10S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-10-methoxy-1,7-dioxaspiro[5.5]undecan-8-yl]-3-[(4-methoxyphenyl)methoxy]-2-methylbutanal has a molecular weight of 805.21 g/mol, XLogP of 8.84, 16 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-4-[(2R,4S,6S,8S,10S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-10-methoxy-1,7-dioxaspiro[5.5]undecan-8-yl]-3-[(4-methoxyphenyl)methoxy]-2-methylbutanal is sourced from PubChem (CID 11205089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).