[(2R,4S,5S)-2-[(3S,4R,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methoxy-4,5-dimethyloxan-3-yl]oxy-6-ethyl-4,5-dimethyloxan-3-yl] acetate

C26H50O7Si — CID 167639301

IUPAC[(2R,4S,5S)-2-[(3S,4R,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methoxy-4,5-dimethyloxan-3-yl]oxy-6-ethyl-4,5-dimethyloxan-3-yl] acetate
SMILESCCC1O[C@H](O[C@@H]2C(CO[Si](C)(C)C(C)(C)C)O[C@H](OC)C(C)[C@H]2C)C(OC(C)=O)[C@@H](C)[C@@H]1C
InChIInChI=1S/C26H50O7Si/c1-13-20-15(2)16(3)23(30-19(6)27)25(31-20)33-22-17(4)18(5)24(28-10)32-21(22)14-29-34(11,12)26(7,8)9/h15-18,20-25H,13-14H2,1-12H3/t15-,16-,17+,18?,20?,21?,22-,23?,24-,25+/m0/s1
InChIKeyOXWNJNWZFZYTOQ-BFGKSYDWSA-N
MW502.77 g/mol
LogP5.38
Rot. Bonds8

About [(2R,4S,5S)-2-[(3S,4R,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methoxy-4,5-dimethyloxan-3-yl]oxy-6-ethyl-4,5-dimethyloxan-3-yl] acetate

[(2R,4S,5S)-2-[(3S,4R,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methoxy-4,5-dimethyloxan-3-yl]oxy-6-ethyl-4,5-dimethyloxan-3-yl] acetate (PubChem CID 167639301) has the molecular formula C26H50O7Si and a molecular weight of 502.77 g/mol. Its IUPAC name is [(2R,4S,5S)-2-[(3S,4R,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methoxy-4,5-dimethyloxan-3-yl]oxy-6-ethyl-4,5-dimethyloxan-3-yl] acetate.

Molecular Properties

Compound Name[(2R,4S,5S)-2-[(3S,4R,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methoxy-4,5-dimethyloxan-3-yl]oxy-6-ethyl-4,5-dimethyloxan-3-yl] acetate
PubChem CID167639301
Molecular FormulaC26H50O7Si
Molecular Weight502.77 g/mol
Exact Mass502.33
IUPAC Name[(2R,4S,5S)-2-[(3S,4R,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methoxy-4,5-dimethyloxan-3-yl]oxy-6-ethyl-4,5-dimethyloxan-3-yl] acetate
SMILESCCC1O[C@H](O[C@@H]2C(CO[Si](C)(C)C(C)(C)C)O[C@H](OC)C(C)[C@H]2C)C(OC(C)=O)[C@@H](C)[C@@H]1C
InChIInChI=1S/C26H50O7Si/c1-13-20-15(2)16(3)23(30-19(6)27)25(31-20)33-22-17(4)18(5)24(28-10)32-21(22)14-29-34(11,12)26(7,8)9/h15-18,20-25H,13-14H2,1-12H3/t15-,16-,17+,18?,20?,21?,22-,23?,24-,25+/m0/s1
InChIKeyOXWNJNWZFZYTOQ-BFGKSYDWSA-N
XLogP5.38
TPSA72.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.77
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze [(2R,4S,5S)-2-[(3S,4R,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methoxy-4,5-dimethyloxan-3-yl]oxy-6-ethyl-4,5-dimethyloxan-3-yl] acetate with MolForge

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Launch Full Analysis

Related Compounds

[(2R,4S,5S)-6-ethyl-2-[(3S,4R,6S)-6-methoxy-4,5-dimethyl-2-[tri(propan-2-yl)silyloxymethyl]oxan-3-yl]oxy-4,5-dimethyloxan-3-yl] acetate
CID 167705010
[(3R,6S)-3,4,5-triacetyloxy-6-[(3S,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,5-dihydroxy-6-methoxyoxan-4-yl]oxyoxan-2-yl]methyl acetate
CID 134837855
[(3S,4S,6S)-5-acetyloxy-6-[(3S,4S,6R)-5-acetyloxy-6-[(3S,4S,6S)-5-acetyloxy-2-(acetyloxymethyl)-4,6-dimethyloxan-3-yl]oxy-2-(acetyloxymethyl)-4-methyloxan-3-yl]oxy-3,4-dimethyloxan-2-yl]methyl acetate
CID 126550256
[(2S,4S,5S)-2-[(3S,4R)-6-acetyloxy-2-(hydroxymethyl)-4,5-dimethyloxan-3-yl]oxy-6-ethyl-5-hydroxy-4-methyloxan-3-yl] acetate
CID 174093639
[(5S)-3,4,5-triacetyloxy-6-(3,4-diacetyloxy-6-ethyl-5-methyloxan-2-yl)oxyoxan-2-yl]methyl acetate
CID 148638377
[(2R,3R,4S,5R,6R)-4,5-diacetyloxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(2-trimethylsilylethoxy)oxan-3-yl] acetate
CID 14887630
[(2R,3R,4S,5R)-4,5-diacetyloxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-nitrooxyoxan-3-yl] acetate
CID 11733315
[(3S,6R)-3,4-diacetyloxy-6-[(2R,4S,5R)-3,4-diacetyloxy-6-ethyl-5-methyloxan-2-yl]oxy-5-methyloxan-2-yl]methyl acetate
CID 70905933
(2R,4S,5S)-6-ethyl-2-[(2R,4S,5S)-6-ethyl-2-[(2R,4S,5S)-6-ethyl-2-[(3R,4S,6R)-2-ethyl-6-[(3R,4S,6S)-2-ethyl-6-methoxy-3,5-dimethyloxan-4-yl]oxy-3,5-dimethyloxan-4-yl]oxy-4,5-dimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-ol
CID 163909769
[(3R,4S,6R)-5-acetyloxy-4-[(2R,4S,5S)-3-acetyloxy-6-ethyl-4,5-dimethyloxan-2-yl]oxy-6-[(2R,4S,5S)-6-ethyl-4,5-dimethyl-2-(2,2,2-trichloroethanimidoyl)oxyoxan-3-yl]oxy-3-methyloxan-2-yl]methyl acetate
CID 69031499
(4,5-diacetyloxy-2-ethyl-6-methoxyoxan-3-yl) acetate
CID 54172413
[(2R,4S,5S)-6-ethyl-4,5-dimethyl-2-sulfanyloxan-3-yl] acetate
CID 158354110

Frequently Asked Questions

What is the IUPAC name of [(2R,4S,5S)-2-[(3S,4R,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methoxy-4,5-dimethyloxan-3-yl]oxy-6-ethyl-4,5-dimethyloxan-3-yl] acetate?
The IUPAC name of [(2R,4S,5S)-2-[(3S,4R,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methoxy-4,5-dimethyloxan-3-yl]oxy-6-ethyl-4,5-dimethyloxan-3-yl] acetate (CID 167639301) is [(2R,4S,5S)-2-[(3S,4R,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methoxy-4,5-dimethyloxan-3-yl]oxy-6-ethyl-4,5-dimethyloxan-3-yl] acetate.
What is the SMILES notation for [(2R,4S,5S)-2-[(3S,4R,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methoxy-4,5-dimethyloxan-3-yl]oxy-6-ethyl-4,5-dimethyloxan-3-yl] acetate?
The canonical SMILES for [(2R,4S,5S)-2-[(3S,4R,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methoxy-4,5-dimethyloxan-3-yl]oxy-6-ethyl-4,5-dimethyloxan-3-yl] acetate is CCC1O[C@H](O[C@@H]2C(CO[Si](C)(C)C(C)(C)C)O[C@H](OC)C(C)[C@H]2C)C(OC(C)=O)[C@@H](C)[C@@H]1C.
What is the InChIKey of [(2R,4S,5S)-2-[(3S,4R,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methoxy-4,5-dimethyloxan-3-yl]oxy-6-ethyl-4,5-dimethyloxan-3-yl] acetate?
The InChIKey is OXWNJNWZFZYTOQ-BFGKSYDWSA-N. The full InChI is InChI=1S/C26H50O7Si/c1-13-20-15(2)16(3)23(30-19(6)27)25(31-20)33-22-17(4)18(5)24(28-10)32-21(22)14-29-34(11,12)26(7,8)9/h15-18,20-25H,13-14H2,1-12H3/t15-,16-,17+,18?,20?,21?,22-,23?,24-,25+/m0/s1.
What are the key properties of [(2R,4S,5S)-2-[(3S,4R,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methoxy-4,5-dimethyloxan-3-yl]oxy-6-ethyl-4,5-dimethyloxan-3-yl] acetate?
[(2R,4S,5S)-2-[(3S,4R,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methoxy-4,5-dimethyloxan-3-yl]oxy-6-ethyl-4,5-dimethyloxan-3-yl] acetate has a molecular weight of 502.77 g/mol, XLogP of 5.38, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,4S,5S)-2-[(3S,4R,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methoxy-4,5-dimethyloxan-3-yl]oxy-6-ethyl-4,5-dimethyloxan-3-yl] acetate is sourced from PubChem (CID 167639301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).