(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(2S,3S,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethyl-6-oxooxan-2-yl]propanal;(3R,4R,5S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethyl-6-[(2S)-2-methyl-3-oxobutyl]oxan-2-one

C40H78O9Si3 — CID 158081811

IUPAC(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(2S,3S,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethyl-6-oxooxan-2-yl]propanal;(3R,4R,5S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethyl-6-[(2S)-2-methyl-3-oxobutyl]oxan-2-one
SMILESCC(=O)[C@@H](C)C[C@@H]1OC(=O)[C@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1C.C[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)C(=O)O[C@H]1C[C@H](C=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H44O5Si2.C18H34O4Si/c1-15-18(13-17(14-23)26-28(9,10)21(3,4)5)25-20(24)16(2)19(15)27-29(11,12)22(6,7)8;1-11(14(4)19)10-15-12(2)16(13(3)17(20)21-15)22-23(8,9)18(5,6)7/h14-19H,13H2,1-12H3;11-13,15-16H,10H2,1-9H3/t15-,16+,17+,18-,19+;11-,12-,13+,15-,16+/m00/s1
InChIKeyFNAVHOGBBJBMEJ-ZHELJHQASA-N
MW787.31 g/mol
LogP9.74
Rot. Bonds12

About (2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(2S,3S,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethyl-6-oxooxan-2-yl]propanal;(3R,4R,5S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethyl-6-[(2S)-2-methyl-3-oxobutyl]oxan-2-one

(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(2S,3S,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethyl-6-oxooxan-2-yl]propanal;(3R,4R,5S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethyl-6-[(2S)-2-methyl-3-oxobutyl]oxan-2-one (PubChem CID 158081811) has the molecular formula C40H78O9Si3 and a molecular weight of 787.31 g/mol. Its IUPAC name is (2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(2S,3S,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethyl-6-oxooxan-2-yl]propanal;(3R,4R,5S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethyl-6-[(2S)-2-methyl-3-oxobutyl]oxan-2-one.

Molecular Properties

Compound Name(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(2S,3S,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethyl-6-oxooxan-2-yl]propanal;(3R,4R,5S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethyl-6-[(2S)-2-methyl-3-oxobutyl]oxan-2-one
PubChem CID158081811
Molecular FormulaC40H78O9Si3
Molecular Weight787.31 g/mol
Exact Mass786.50
IUPAC Name(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(2S,3S,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethyl-6-oxooxan-2-yl]propanal;(3R,4R,5S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethyl-6-[(2S)-2-methyl-3-oxobutyl]oxan-2-one
SMILESCC(=O)[C@@H](C)C[C@@H]1OC(=O)[C@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1C.C[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)C(=O)O[C@H]1C[C@H](C=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H44O5Si2.C18H34O4Si/c1-15-18(13-17(14-23)26-28(9,10)21(3,4)5)25-20(24)16(2)19(15)27-29(11,12)22(6,7)8;1-11(14(4)19)10-15-12(2)16(13(3)17(20)21-15)22-23(8,9)18(5,6)7/h14-19H,13H2,1-12H3;11-13,15-16H,10H2,1-9H3/t15-,16+,17+,18-,19+;11-,12-,13+,15-,16+/m00/s1
InChIKeyFNAVHOGBBJBMEJ-ZHELJHQASA-N
XLogP9.74
TPSA114.43 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500787.31
LogP ≤ 59.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze (2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(2S,3S,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethyl-6-oxooxan-2-yl]propanal;(3R,4R,5S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethyl-6-[(2S)-2-methyl-3-oxobutyl]oxan-2-one with MolForge

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Launch Full Analysis

Related Compounds

(2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(2S,3S,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethyl-6-oxooxan-2-yl]propanal
CID 10950338
methyl 2-[(2S,4S,5S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-6-[(2S,3S)-3-methoxy-4-oxobutan-2-yl]-5-methyloxan-2-yl]acetate
CID 11362502
methyl 2-[(2R,3R,4R,6R)-3-methyl-6-(2-oxoethyl)-4-tri(propan-2-yl)silyloxyoxan-2-yl]acetate
CID 11395069
(1S,5S,7R,9S,10S,11S,15S,17R,19S,20S)-10,20-dimethyl-5,15-bis[(1R,2R)-2-methylcyclopropyl]-9,19-bis[tri(propan-2-yl)silyloxy]-4,14,21,22-tetraoxatricyclo[15.3.1.17,11]docosane-3,13-dione
CID 11847237
(2S)-3-[(2S,3S,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethyl-6-oxooxan-2-yl]-2-triethylsilyloxypropanal
CID 11282224
(3R,4R,5S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethyl-6-[(2S)-2-methyl-3-oxobutyl]oxan-2-one
CID 57788668
(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(3S,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethyl-6-oxooxan-2-yl]propanal
CID 59015192
(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(2S,3S,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethyl-6-oxooxan-2-yl]propanal
CID 59263960
(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(2S,3S,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethyl-6-oxooxan-2-yl]propanal
CID 59891820
(2S)-3-[(2S,3S,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethyl-6-oxooxan-2-yl]-2-methylpropanal
CID 59994787
(3R,4S,5S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethyl-6-[(2S)-2-methyl-3-oxobutyl]oxan-2-one
CID 70989429
(2S)-3-[(2S,3S,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethyl-6-oxooxan-2-yl]-2-methylpropanal
CID 91576245

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(2S,3S,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethyl-6-oxooxan-2-yl]propanal;(3R,4R,5S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethyl-6-[(2S)-2-methyl-3-oxobutyl]oxan-2-one?
The IUPAC name of (2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(2S,3S,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethyl-6-oxooxan-2-yl]propanal;(3R,4R,5S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethyl-6-[(2S)-2-methyl-3-oxobutyl]oxan-2-one (CID 158081811) is (2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(2S,3S,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethyl-6-oxooxan-2-yl]propanal;(3R,4R,5S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethyl-6-[(2S)-2-methyl-3-oxobutyl]oxan-2-one.
What is the SMILES notation for (2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(2S,3S,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethyl-6-oxooxan-2-yl]propanal;(3R,4R,5S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethyl-6-[(2S)-2-methyl-3-oxobutyl]oxan-2-one?
The canonical SMILES for (2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(2S,3S,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethyl-6-oxooxan-2-yl]propanal;(3R,4R,5S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethyl-6-[(2S)-2-methyl-3-oxobutyl]oxan-2-one is CC(=O)[C@@H](C)C[C@@H]1OC(=O)[C@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1C.C[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)C(=O)O[C@H]1C[C@H](C=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(2S,3S,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethyl-6-oxooxan-2-yl]propanal;(3R,4R,5S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethyl-6-[(2S)-2-methyl-3-oxobutyl]oxan-2-one?
The InChIKey is FNAVHOGBBJBMEJ-ZHELJHQASA-N. The full InChI is InChI=1S/C22H44O5Si2.C18H34O4Si/c1-15-18(13-17(14-23)26-28(9,10)21(3,4)5)25-20(24)16(2)19(15)27-29(11,12)22(6,7)8;1-11(14(4)19)10-15-12(2)16(13(3)17(20)21-15)22-23(8,9)18(5,6)7/h14-19H,13H2,1-12H3;11-13,15-16H,10H2,1-9H3/t15-,16+,17+,18-,19+;11-,12-,13+,15-,16+/m00/s1.
What are the key properties of (2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(2S,3S,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethyl-6-oxooxan-2-yl]propanal;(3R,4R,5S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethyl-6-[(2S)-2-methyl-3-oxobutyl]oxan-2-one?
(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(2S,3S,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethyl-6-oxooxan-2-yl]propanal;(3R,4R,5S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethyl-6-[(2S)-2-methyl-3-oxobutyl]oxan-2-one has a molecular weight of 787.31 g/mol, XLogP of 9.74, 12 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(2S,3S,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethyl-6-oxooxan-2-yl]propanal;(3R,4R,5S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethyl-6-[(2S)-2-methyl-3-oxobutyl]oxan-2-one is sourced from PubChem (CID 158081811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).