[(2R,3S,4R,5R,6R)-6-[(S)-[(2R,4S,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-(4-hydroxybutyl)-2-methoxy-5-methyloxan-2-yl]-hydroxymethyl]-3,4-dihydroxy-5-methyloxan-2-yl]methyl 2,2-dimethylpropanoate

C30H58O10Si — CID 11319424

IUPAC[(2R,3S,4R,5R,6R)-6-[(S)-[(2R,4S,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-(4-hydroxybutyl)-2-methoxy-5-methyloxan-2-yl]-hydroxymethyl]-3,4-dihydroxy-5-methyloxan-2-yl]methyl 2,2-dimethylpropanoate
SMILESCO[C@]1([C@@H](O)[C@@H]2O[C@H](COC(=O)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]2C)C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)[C@@H](CCCCO)O1
InChIInChI=1S/C30H58O10Si/c1-18-20(14-12-13-15-31)39-30(36-9,16-21(18)40-41(10,11)29(6,7)8)26(34)25-19(2)23(32)24(33)22(38-25)17-37-27(35)28(3,4)5/h18-26,31-34H,12-17H2,1-11H3/t18-,19+,20+,21-,22+,23+,24+,25+,26-,30+/m0/s1
InChIKeyRMRAKYGDOBKINS-OTUOULNOSA-N
MW606.87 g/mol
LogP3.38
Rot. Bonds11

About [(2R,3S,4R,5R,6R)-6-[(S)-[(2R,4S,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-(4-hydroxybutyl)-2-methoxy-5-methyloxan-2-yl]-hydroxymethyl]-3,4-dihydroxy-5-methyloxan-2-yl]methyl 2,2-dimethylpropanoate

[(2R,3S,4R,5R,6R)-6-[(S)-[(2R,4S,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-(4-hydroxybutyl)-2-methoxy-5-methyloxan-2-yl]-hydroxymethyl]-3,4-dihydroxy-5-methyloxan-2-yl]methyl 2,2-dimethylpropanoate (PubChem CID 11319424) has the molecular formula C30H58O10Si and a molecular weight of 606.87 g/mol. Its IUPAC name is [(2R,3S,4R,5R,6R)-6-[(S)-[(2R,4S,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-(4-hydroxybutyl)-2-methoxy-5-methyloxan-2-yl]-hydroxymethyl]-3,4-dihydroxy-5-methyloxan-2-yl]methyl 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[(2R,3S,4R,5R,6R)-6-[(S)-[(2R,4S,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-(4-hydroxybutyl)-2-methoxy-5-methyloxan-2-yl]-hydroxymethyl]-3,4-dihydroxy-5-methyloxan-2-yl]methyl 2,2-dimethylpropanoate
PubChem CID11319424
Molecular FormulaC30H58O10Si
Molecular Weight606.87 g/mol
Exact Mass606.38
IUPAC Name[(2R,3S,4R,5R,6R)-6-[(S)-[(2R,4S,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-(4-hydroxybutyl)-2-methoxy-5-methyloxan-2-yl]-hydroxymethyl]-3,4-dihydroxy-5-methyloxan-2-yl]methyl 2,2-dimethylpropanoate
SMILESCO[C@]1([C@@H](O)[C@@H]2O[C@H](COC(=O)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]2C)C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)[C@@H](CCCCO)O1
InChIInChI=1S/C30H58O10Si/c1-18-20(14-12-13-15-31)39-30(36-9,16-21(18)40-41(10,11)29(6,7)8)26(34)25-19(2)23(32)24(33)22(38-25)17-37-27(35)28(3,4)5/h18-26,31-34H,12-17H2,1-11H3/t18-,19+,20+,21-,22+,23+,24+,25+,26-,30+/m0/s1
InChIKeyRMRAKYGDOBKINS-OTUOULNOSA-N
XLogP3.38
TPSA144.14 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500606.87
LogP ≤ 53.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze [(2R,3S,4R,5R,6R)-6-[(S)-[(2R,4S,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-(4-hydroxybutyl)-2-methoxy-5-methyloxan-2-yl]-hydroxymethyl]-3,4-dihydroxy-5-methyloxan-2-yl]methyl 2,2-dimethylpropanoate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(2R,3S,4R,5R,6R)-6-[(S)-[(2R,4S,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-(4-hydroxybutyl)-2-methoxy-5-methyloxan-2-yl]-hydroxymethyl]-3,4-dihydroxy-5-methyloxan-2-yl]methyl 2,2-dimethylpropanoate?
The IUPAC name of [(2R,3S,4R,5R,6R)-6-[(S)-[(2R,4S,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-(4-hydroxybutyl)-2-methoxy-5-methyloxan-2-yl]-hydroxymethyl]-3,4-dihydroxy-5-methyloxan-2-yl]methyl 2,2-dimethylpropanoate (CID 11319424) is [(2R,3S,4R,5R,6R)-6-[(S)-[(2R,4S,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-(4-hydroxybutyl)-2-methoxy-5-methyloxan-2-yl]-hydroxymethyl]-3,4-dihydroxy-5-methyloxan-2-yl]methyl 2,2-dimethylpropanoate.
What is the SMILES notation for [(2R,3S,4R,5R,6R)-6-[(S)-[(2R,4S,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-(4-hydroxybutyl)-2-methoxy-5-methyloxan-2-yl]-hydroxymethyl]-3,4-dihydroxy-5-methyloxan-2-yl]methyl 2,2-dimethylpropanoate?
The canonical SMILES for [(2R,3S,4R,5R,6R)-6-[(S)-[(2R,4S,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-(4-hydroxybutyl)-2-methoxy-5-methyloxan-2-yl]-hydroxymethyl]-3,4-dihydroxy-5-methyloxan-2-yl]methyl 2,2-dimethylpropanoate is CO[C@]1([C@@H](O)[C@@H]2O[C@H](COC(=O)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]2C)C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)[C@@H](CCCCO)O1.
What is the InChIKey of [(2R,3S,4R,5R,6R)-6-[(S)-[(2R,4S,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-(4-hydroxybutyl)-2-methoxy-5-methyloxan-2-yl]-hydroxymethyl]-3,4-dihydroxy-5-methyloxan-2-yl]methyl 2,2-dimethylpropanoate?
The InChIKey is RMRAKYGDOBKINS-OTUOULNOSA-N. The full InChI is InChI=1S/C30H58O10Si/c1-18-20(14-12-13-15-31)39-30(36-9,16-21(18)40-41(10,11)29(6,7)8)26(34)25-19(2)23(32)24(33)22(38-25)17-37-27(35)28(3,4)5/h18-26,31-34H,12-17H2,1-11H3/t18-,19+,20+,21-,22+,23+,24+,25+,26-,30+/m0/s1.
What are the key properties of [(2R,3S,4R,5R,6R)-6-[(S)-[(2R,4S,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-(4-hydroxybutyl)-2-methoxy-5-methyloxan-2-yl]-hydroxymethyl]-3,4-dihydroxy-5-methyloxan-2-yl]methyl 2,2-dimethylpropanoate?
[(2R,3S,4R,5R,6R)-6-[(S)-[(2R,4S,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-(4-hydroxybutyl)-2-methoxy-5-methyloxan-2-yl]-hydroxymethyl]-3,4-dihydroxy-5-methyloxan-2-yl]methyl 2,2-dimethylpropanoate has a molecular weight of 606.87 g/mol, XLogP of 3.38, 11 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S,4R,5R,6R)-6-[(S)-[(2R,4S,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-(4-hydroxybutyl)-2-methoxy-5-methyloxan-2-yl]-hydroxymethyl]-3,4-dihydroxy-5-methyloxan-2-yl]methyl 2,2-dimethylpropanoate is sourced from PubChem (CID 11319424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).