1-O-[(2R,3R,4S,5R,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methoxy-2-methyloxan-3-yl] 3-O-ethyl (2R)-2-(1,3-dioxolan-2-ylmethyl)-2-methylpropanedioate

C29H56O10Si2 — CID 71652919

IUPAC1-O-[(2R,3R,4S,5R,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methoxy-2-methyloxan-3-yl] 3-O-ethyl (2R)-2-(1,3-dioxolan-2-ylmethyl)-2-methylpropanedioate
SMILESCCOC(=O)[C@@](C)(CC1OCCO1)C(=O)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](OC)O[C@@H]1C
InChIInChI=1S/C29H56O10Si2/c1-15-33-25(30)29(9,18-20-34-16-17-35-20)26(31)37-21-19(2)36-24(32-10)23(39-41(13,14)28(6,7)8)22(21)38-40(11,12)27(3,4)5/h19-24H,15-18H2,1-14H3/t19-,21-,22+,23-,24+,29-/m1/s1
InChIKeyBEOIWXBNCTWBRJ-LBZQVQMVSA-N
MW620.93 g/mol
LogP5.40
Rot. Bonds11

About 1-O-[(2R,3R,4S,5R,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methoxy-2-methyloxan-3-yl] 3-O-ethyl (2R)-2-(1,3-dioxolan-2-ylmethyl)-2-methylpropanedioate

1-O-[(2R,3R,4S,5R,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methoxy-2-methyloxan-3-yl] 3-O-ethyl (2R)-2-(1,3-dioxolan-2-ylmethyl)-2-methylpropanedioate (PubChem CID 71652919) has the molecular formula C29H56O10Si2 and a molecular weight of 620.93 g/mol. Its IUPAC name is 1-O-[(2R,3R,4S,5R,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methoxy-2-methyloxan-3-yl] 3-O-ethyl (2R)-2-(1,3-dioxolan-2-ylmethyl)-2-methylpropanedioate.

Molecular Properties

Compound Name1-O-[(2R,3R,4S,5R,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methoxy-2-methyloxan-3-yl] 3-O-ethyl (2R)-2-(1,3-dioxolan-2-ylmethyl)-2-methylpropanedioate
PubChem CID71652919
Molecular FormulaC29H56O10Si2
Molecular Weight620.93 g/mol
Exact Mass620.34
IUPAC Name1-O-[(2R,3R,4S,5R,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methoxy-2-methyloxan-3-yl] 3-O-ethyl (2R)-2-(1,3-dioxolan-2-ylmethyl)-2-methylpropanedioate
SMILESCCOC(=O)[C@@](C)(CC1OCCO1)C(=O)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](OC)O[C@@H]1C
InChIInChI=1S/C29H56O10Si2/c1-15-33-25(30)29(9,18-20-34-16-17-35-20)26(31)37-21-19(2)36-24(32-10)23(39-41(13,14)28(6,7)8)22(21)38-40(11,12)27(3,4)5/h19-24H,15-18H2,1-14H3/t19-,21-,22+,23-,24+,29-/m1/s1
InChIKeyBEOIWXBNCTWBRJ-LBZQVQMVSA-N
XLogP5.40
TPSA107.98 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500620.93
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 1-O-[(2R,3R,4S,5R,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methoxy-2-methyloxan-3-yl] 3-O-ethyl (2R)-2-(1,3-dioxolan-2-ylmethyl)-2-methylpropanedioate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-O-[(2R,3R,4S,5R,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methoxy-2-methyloxan-3-yl] 3-O-ethyl (2R)-2-methyl-2-prop-2-enylpropanedioate
CID 71652916
[(2R,3R,4S,5R,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methoxy-2-methyloxan-3-yl] propanoate
CID 11465404
[(2R,3R,4R,5R)-5-benzoyloxy-4-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-2-methyloxan-3-yl] benzoate
CID 67152952
(3R,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methoxy-2-methyloxan-3-ol
CID 134971375
[(2R)-2-[(2S,3S,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methoxyoxolan-2-yl]-2-hydroxyethyl] 2,2-dimethylpropanoate
CID 56958533
[(2R,3R,4S,5S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-5-iodo-6-methoxy-2-methyloxan-3-yl] benzoate
CID 11214317
[(2S,3R,4S,5R,6R)-5-[tert-butyl(dimethyl)silyl]oxy-3-iodo-4-methoxy-6-methyloxan-2-yl] acetate
CID 24788005
tert-butyl-dimethyl-[(2S,3R,4R,5S,6S)-3,4,5-trimethoxy-6-methyloxan-2-yl]oxysilane
CID 59441458
tert-butyl-[(2S,3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(iodomethyl)-5-methoxyoxolan-3-yl]oxy-dimethylsilane
CID 11677769
(2R)-2-[(2S,3S,4R,5S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methoxyoxolan-2-yl]-2-[tert-butyl(dimethyl)silyl]oxyethanol
CID 56956840
(4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethoxycarbonylcyclopentane-1-carboxylic acid
CID 91256092
[(2R,3R,4S,5S,6S)-4,5,6-trimethoxy-2-methyloxan-3-yl] acetate
CID 22214876

Frequently Asked Questions

What is the IUPAC name of 1-O-[(2R,3R,4S,5R,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methoxy-2-methyloxan-3-yl] 3-O-ethyl (2R)-2-(1,3-dioxolan-2-ylmethyl)-2-methylpropanedioate?
The IUPAC name of 1-O-[(2R,3R,4S,5R,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methoxy-2-methyloxan-3-yl] 3-O-ethyl (2R)-2-(1,3-dioxolan-2-ylmethyl)-2-methylpropanedioate (CID 71652919) is 1-O-[(2R,3R,4S,5R,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methoxy-2-methyloxan-3-yl] 3-O-ethyl (2R)-2-(1,3-dioxolan-2-ylmethyl)-2-methylpropanedioate.
What is the SMILES notation for 1-O-[(2R,3R,4S,5R,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methoxy-2-methyloxan-3-yl] 3-O-ethyl (2R)-2-(1,3-dioxolan-2-ylmethyl)-2-methylpropanedioate?
The canonical SMILES for 1-O-[(2R,3R,4S,5R,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methoxy-2-methyloxan-3-yl] 3-O-ethyl (2R)-2-(1,3-dioxolan-2-ylmethyl)-2-methylpropanedioate is CCOC(=O)[C@@](C)(CC1OCCO1)C(=O)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](OC)O[C@@H]1C.
What is the InChIKey of 1-O-[(2R,3R,4S,5R,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methoxy-2-methyloxan-3-yl] 3-O-ethyl (2R)-2-(1,3-dioxolan-2-ylmethyl)-2-methylpropanedioate?
The InChIKey is BEOIWXBNCTWBRJ-LBZQVQMVSA-N. The full InChI is InChI=1S/C29H56O10Si2/c1-15-33-25(30)29(9,18-20-34-16-17-35-20)26(31)37-21-19(2)36-24(32-10)23(39-41(13,14)28(6,7)8)22(21)38-40(11,12)27(3,4)5/h19-24H,15-18H2,1-14H3/t19-,21-,22+,23-,24+,29-/m1/s1.
What are the key properties of 1-O-[(2R,3R,4S,5R,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methoxy-2-methyloxan-3-yl] 3-O-ethyl (2R)-2-(1,3-dioxolan-2-ylmethyl)-2-methylpropanedioate?
1-O-[(2R,3R,4S,5R,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methoxy-2-methyloxan-3-yl] 3-O-ethyl (2R)-2-(1,3-dioxolan-2-ylmethyl)-2-methylpropanedioate has a molecular weight of 620.93 g/mol, XLogP of 5.40, 11 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-O-[(2R,3R,4S,5R,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methoxy-2-methyloxan-3-yl] 3-O-ethyl (2R)-2-(1,3-dioxolan-2-ylmethyl)-2-methylpropanedioate is sourced from PubChem (CID 71652919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).