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

C24H48O7Si — CID 91006613

IUPAC(3R,4R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[(2R,4S,5S)-4-methoxy-6-(methoxymethyl)-3,5-dimethyloxan-2-yl]oxymethyl]-5,6-dimethyloxan-3-ol
SMILESCOCC1O[C@@H](OCC2O[C@@H](C)C(C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O)C(C)[C@@H](OC)[C@@H]1C
InChIInChI=1S/C24H48O7Si/c1-14-17(4)29-19(20(25)22(14)31-32(10,11)24(5,6)7)13-28-23-16(3)21(27-9)15(2)18(30-23)12-26-8/h14-23,25H,12-13H2,1-11H3/t14?,15-,16?,17+,18?,19?,20-,21+,22-,23-/m1/s1
InChIKeyFAZLEGYEZHFPRQ-FWRVJBLHSA-N
MW476.73 g/mol
LogP3.84
Rot. Bonds8

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

(3R,4R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[(2R,4S,5S)-4-methoxy-6-(methoxymethyl)-3,5-dimethyloxan-2-yl]oxymethyl]-5,6-dimethyloxan-3-ol (PubChem CID 91006613) has the molecular formula C24H48O7Si and a molecular weight of 476.73 g/mol. Its IUPAC name is (3R,4R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[(2R,4S,5S)-4-methoxy-6-(methoxymethyl)-3,5-dimethyloxan-2-yl]oxymethyl]-5,6-dimethyloxan-3-ol.

Molecular Properties

Compound Name(3R,4R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[(2R,4S,5S)-4-methoxy-6-(methoxymethyl)-3,5-dimethyloxan-2-yl]oxymethyl]-5,6-dimethyloxan-3-ol
PubChem CID91006613
Molecular FormulaC24H48O7Si
Molecular Weight476.73 g/mol
Exact Mass476.32
IUPAC Name(3R,4R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[(2R,4S,5S)-4-methoxy-6-(methoxymethyl)-3,5-dimethyloxan-2-yl]oxymethyl]-5,6-dimethyloxan-3-ol
SMILESCOCC1O[C@@H](OCC2O[C@@H](C)C(C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O)C(C)[C@@H](OC)[C@@H]1C
InChIInChI=1S/C24H48O7Si/c1-14-17(4)29-19(20(25)22(14)31-32(10,11)24(5,6)7)13-28-23-16(3)21(27-9)15(2)18(30-23)12-26-8/h14-23,25H,12-13H2,1-11H3/t14?,15-,16?,17+,18?,19?,20-,21+,22-,23-/m1/s1
InChIKeyFAZLEGYEZHFPRQ-FWRVJBLHSA-N
XLogP3.84
TPSA75.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.73
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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

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Related Compounds

(3R,4S,6S)-6-[(3S,4R,6R)-6-[(3R,4S,6S)-6-[(3S,4R,6R)-6-[(3R,4S,6S)-4,5-dimethoxy-6-[(3S,4R,6S)-4-methoxy-2-(methoxymethyl)-5,6-dimethyloxan-3-yl]oxy-2-(methoxymethyl)oxan-3-yl]oxy-4-methoxy-2-(methoxymethyl)-5-methyloxan-3-yl]oxy-4,5-dimethoxy-2-(methoxymethyl)oxan-3-yl]oxy-4-methoxy-2-(methoxymethyl)-5-methyloxan-3-yl]oxy-4,5-dimethoxy-2-(methoxymethyl)oxan-3-ol
CID 88937299
(2R,3S,4S,5R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methoxyoxane-3,5-diol
CID 101200293
2,3-dimethoxy-6-(methoxymethyl)-5-methyloxan-4-ol
CID 76704011
(2R,4S,5R)-2,3,4-trimethoxy-6-(methoxymethyl)-5-methyloxane
CID 176646378
4-methoxy-2-[[4-methoxy-3,6-dimethyl-5-(methylamino)oxan-2-yl]methoxy]-6-(methoxymethyl)-N,5-dimethyloxan-3-amine
CID 59956194
(3R,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methoxy-2-methyloxan-3-ol
CID 134971375
2-[(5-aminooxy-3,4-dihydroxy-6-methyloxan-2-yl)methoxy]-6-(methoxymethyl)oxane-3,4,5-triol
CID 154627433
tert-butyl-[[(2R,3R,4R,5S)-5-[[(2S,3R,4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dimethoxyoxolan-2-yl]methoxy]-3,4-dimethoxyoxolan-2-yl]methoxy]-dimethylsilane
CID 71502014
4-[tert-butyl(dimethyl)silyl]oxy-5-methyloxolane-2,3-diol
CID 20612986
(3S,4S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5,6-dimethyl-4-phenylmethoxyoxan-3-ol
CID 91067670
(2R,3R,4S,5R,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methoxy-5-triethylsilyloxyoxane-3,4-diol
CID 71607179
(3R,5S,6S)-3-methoxy-2-(methoxymethyl)-4,5,6-trimethyloxane
CID 71166951

Frequently Asked Questions

What is the IUPAC name of (3R,4R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[(2R,4S,5S)-4-methoxy-6-(methoxymethyl)-3,5-dimethyloxan-2-yl]oxymethyl]-5,6-dimethyloxan-3-ol?
The IUPAC name of (3R,4R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[(2R,4S,5S)-4-methoxy-6-(methoxymethyl)-3,5-dimethyloxan-2-yl]oxymethyl]-5,6-dimethyloxan-3-ol (CID 91006613) is (3R,4R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[(2R,4S,5S)-4-methoxy-6-(methoxymethyl)-3,5-dimethyloxan-2-yl]oxymethyl]-5,6-dimethyloxan-3-ol.
What is the SMILES notation for (3R,4R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[(2R,4S,5S)-4-methoxy-6-(methoxymethyl)-3,5-dimethyloxan-2-yl]oxymethyl]-5,6-dimethyloxan-3-ol?
The canonical SMILES for (3R,4R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[(2R,4S,5S)-4-methoxy-6-(methoxymethyl)-3,5-dimethyloxan-2-yl]oxymethyl]-5,6-dimethyloxan-3-ol is COCC1O[C@@H](OCC2O[C@@H](C)C(C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O)C(C)[C@@H](OC)[C@@H]1C.
What is the InChIKey of (3R,4R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[(2R,4S,5S)-4-methoxy-6-(methoxymethyl)-3,5-dimethyloxan-2-yl]oxymethyl]-5,6-dimethyloxan-3-ol?
The InChIKey is FAZLEGYEZHFPRQ-FWRVJBLHSA-N. The full InChI is InChI=1S/C24H48O7Si/c1-14-17(4)29-19(20(25)22(14)31-32(10,11)24(5,6)7)13-28-23-16(3)21(27-9)15(2)18(30-23)12-26-8/h14-23,25H,12-13H2,1-11H3/t14?,15-,16?,17+,18?,19?,20-,21+,22-,23-/m1/s1.
What are the key properties of (3R,4R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[(2R,4S,5S)-4-methoxy-6-(methoxymethyl)-3,5-dimethyloxan-2-yl]oxymethyl]-5,6-dimethyloxan-3-ol?
(3R,4R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[(2R,4S,5S)-4-methoxy-6-(methoxymethyl)-3,5-dimethyloxan-2-yl]oxymethyl]-5,6-dimethyloxan-3-ol has a molecular weight of 476.73 g/mol, XLogP of 3.84, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[(2R,4S,5S)-4-methoxy-6-(methoxymethyl)-3,5-dimethyloxan-2-yl]oxymethyl]-5,6-dimethyloxan-3-ol is sourced from PubChem (CID 91006613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).