methyl (2S,3S)-2-[(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]butan-2-yl]-3-methyl-2H-furan-3-carboxylate

C22H40O6Si — CID 10741207

IUPACmethyl (2S,3S)-2-[(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]butan-2-yl]-3-methyl-2H-furan-3-carboxylate
SMILESCOC(=O)[C@@]1(C)C=CO[C@H]1[C@H](C)[C@@H](C[C@H]1COC(C)(C)O1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H40O6Si/c1-15(18-22(7,11-12-25-18)19(23)24-8)17(28-29(9,10)20(2,3)4)13-16-14-26-21(5,6)27-16/h11-12,15-18H,13-14H2,1-10H3/t15-,16+,17-,18+,22+/m1/s1
InChIKeyJBFBAABLBDQGGM-QSAVSUGSSA-N
MW428.64 g/mol
LogP4.65
Rot. Bonds7

About methyl (2S,3S)-2-[(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]butan-2-yl]-3-methyl-2H-furan-3-carboxylate

methyl (2S,3S)-2-[(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]butan-2-yl]-3-methyl-2H-furan-3-carboxylate (PubChem CID 10741207) has the molecular formula C22H40O6Si and a molecular weight of 428.64 g/mol. Its IUPAC name is methyl (2S,3S)-2-[(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]butan-2-yl]-3-methyl-2H-furan-3-carboxylate.

Molecular Properties

Compound Namemethyl (2S,3S)-2-[(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]butan-2-yl]-3-methyl-2H-furan-3-carboxylate
PubChem CID10741207
Molecular FormulaC22H40O6Si
Molecular Weight428.64 g/mol
Exact Mass428.26
IUPAC Namemethyl (2S,3S)-2-[(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]butan-2-yl]-3-methyl-2H-furan-3-carboxylate
SMILESCOC(=O)[C@@]1(C)C=CO[C@H]1[C@H](C)[C@@H](C[C@H]1COC(C)(C)O1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H40O6Si/c1-15(18-22(7,11-12-25-18)19(23)24-8)17(28-29(9,10)20(2,3)4)13-16-14-26-21(5,6)27-16/h11-12,15-18H,13-14H2,1-10H3/t15-,16+,17-,18+,22+/m1/s1
InChIKeyJBFBAABLBDQGGM-QSAVSUGSSA-N
XLogP4.65
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.64
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze methyl (2S,3S)-2-[(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]butan-2-yl]-3-methyl-2H-furan-3-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

ethyl 2-[(2R,5S)-5-[(1R,2R,3R)-1-(methoxymethoxy)-3-methyl-2-tri(propan-2-yl)silyloxypent-4-enyl]oxolan-2-yl]acetate
CID 102150065
(4R,5S)-5-[(R)-[tert-butyl(dimethyl)silyl]oxy-[(4S,5R)-2,2,5-trimethyl-1,3-dioxolan-4-yl]methyl]-4-ethenyloxolan-2-one
CID 10872353
(4R,5S)-4-ethenyl-5-[(R)-[(4S,5R)-2,2,5-trimethyl-1,3-dioxolan-4-yl]-trimethylsilyloxymethyl]oxolan-2-one
CID 11077979
(3aS,6R,7R,7aS)-6-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-3a,7-dimethyl-7,7a-dihydro-6H-furo[3,2-c]pyran-4-one
CID 10612888
methyl (2S,3S)-2-[(2R,3R)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxybutan-2-yl]-3-methyl-2H-furan-3-carboxylate
CID 10638995
methyl 2-[(4S,6S)-6-[(2S,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylhex-5-en-2-yl]-2,2,5,5-tetramethyl-1,3-dioxan-4-yl]acetate
CID 25178466
(4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[(1S,3S,4R)-3-hydroxy-1-methoxy-4-methylhex-5-enyl]-3,3-dimethyloxolan-2-one
CID 49793732
(4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[(1S,3S,4S,5R,6R)-3,5-dihydroxy-1-methoxy-4,6-dimethyloct-7-enyl]-3,3-dimethyloxolan-2-one
CID 49793770
(4R,5R)-5-[(1S)-2-[(4S,5S,6R)-6-[(2R)-but-3-en-2-yl]-2,2,5-trimethyl-1,3-dioxan-4-yl]-1-methoxyethyl]-4-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethyloxolan-2-one
CID 49793771
(4R,5R)-5-[(1S)-2-[(4R,5R,6S)-6-[(2S)-but-3-en-2-yl]-2,2,5-trimethyl-1,3-dioxan-4-yl]-1-methoxyethyl]-4-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethyloxolan-2-one
CID 49793772
methyl (3R)-4-[(2S,4S,6S)-4-acetyloxy-6-methoxy-5,5-dimethyl-6-prop-2-enyloxan-2-yl]-3-[tert-butyl(dimethyl)silyl]oxybutanoate
CID 56590302

Frequently Asked Questions

What is the IUPAC name of methyl (2S,3S)-2-[(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]butan-2-yl]-3-methyl-2H-furan-3-carboxylate?
The IUPAC name of methyl (2S,3S)-2-[(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]butan-2-yl]-3-methyl-2H-furan-3-carboxylate (CID 10741207) is methyl (2S,3S)-2-[(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]butan-2-yl]-3-methyl-2H-furan-3-carboxylate.
What is the SMILES notation for methyl (2S,3S)-2-[(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]butan-2-yl]-3-methyl-2H-furan-3-carboxylate?
The canonical SMILES for methyl (2S,3S)-2-[(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]butan-2-yl]-3-methyl-2H-furan-3-carboxylate is COC(=O)[C@@]1(C)C=CO[C@H]1[C@H](C)[C@@H](C[C@H]1COC(C)(C)O1)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of methyl (2S,3S)-2-[(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]butan-2-yl]-3-methyl-2H-furan-3-carboxylate?
The InChIKey is JBFBAABLBDQGGM-QSAVSUGSSA-N. The full InChI is InChI=1S/C22H40O6Si/c1-15(18-22(7,11-12-25-18)19(23)24-8)17(28-29(9,10)20(2,3)4)13-16-14-26-21(5,6)27-16/h11-12,15-18H,13-14H2,1-10H3/t15-,16+,17-,18+,22+/m1/s1.
What are the key properties of methyl (2S,3S)-2-[(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]butan-2-yl]-3-methyl-2H-furan-3-carboxylate?
methyl (2S,3S)-2-[(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]butan-2-yl]-3-methyl-2H-furan-3-carboxylate has a molecular weight of 428.64 g/mol, XLogP of 4.65, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S,3S)-2-[(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]butan-2-yl]-3-methyl-2H-furan-3-carboxylate is sourced from PubChem (CID 10741207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).