(1R)-1-[(2S,3R,4R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-hydroxy-3,4-bis(phenylmethoxy)oxolan-2-yl]ethane-1,2-diol

C37H44O7Si — CID 10077716

IUPAC(1R)-1-[(2S,3R,4R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-hydroxy-3,4-bis(phenylmethoxy)oxolan-2-yl]ethane-1,2-diol
SMILESCC(C)(C)[Si](OC[C@@]1([C@H](O)CO)OC(O)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C37H44O7Si/c1-36(2,3)45(30-20-12-6-13-21-30,31-22-14-7-15-23-31)43-27-37(32(39)24-38)34(42-26-29-18-10-5-11-19-29)33(35(40)44-37)41-25-28-16-8-4-9-17-28/h4-23,32-35,38-40H,24-27H2,1-3H3/t32-,33-,34-,35?,37+/m1/s1
InChIKeyWULCLPCMRBMOLY-QDVFSRRFSA-N
MW628.84 g/mol
LogP4.17
Rot. Bonds13

About (1R)-1-[(2S,3R,4R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-hydroxy-3,4-bis(phenylmethoxy)oxolan-2-yl]ethane-1,2-diol

(1R)-1-[(2S,3R,4R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-hydroxy-3,4-bis(phenylmethoxy)oxolan-2-yl]ethane-1,2-diol (PubChem CID 10077716) has the molecular formula C37H44O7Si and a molecular weight of 628.84 g/mol. Its IUPAC name is (1R)-1-[(2S,3R,4R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-hydroxy-3,4-bis(phenylmethoxy)oxolan-2-yl]ethane-1,2-diol.

Molecular Properties

Compound Name(1R)-1-[(2S,3R,4R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-hydroxy-3,4-bis(phenylmethoxy)oxolan-2-yl]ethane-1,2-diol
PubChem CID10077716
Molecular FormulaC37H44O7Si
Molecular Weight628.84 g/mol
Exact Mass628.29
IUPAC Name(1R)-1-[(2S,3R,4R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-hydroxy-3,4-bis(phenylmethoxy)oxolan-2-yl]ethane-1,2-diol
SMILESCC(C)(C)[Si](OC[C@@]1([C@H](O)CO)OC(O)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C37H44O7Si/c1-36(2,3)45(30-20-12-6-13-21-30,31-22-14-7-15-23-31)43-27-37(32(39)24-38)34(42-26-29-18-10-5-11-19-29)33(35(40)44-37)41-25-28-16-8-4-9-17-28/h4-23,32-35,38-40H,24-27H2,1-3H3/t32-,33-,34-,35?,37+/m1/s1
InChIKeyWULCLPCMRBMOLY-QDVFSRRFSA-N
XLogP4.17
TPSA97.61 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms45
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500628.84
LogP ≤ 54.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

(1R)-1-[(2S,3R,4R)-5-hydroxy-3,4-bis(phenylmethoxy)-2-prop-2-enyloxolan-2-yl]ethane-1,2-diol
CID 11741715
(2S,3S,4R,5S,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-phenylmethoxyoxane-2,3,4-triol
CID 171125092
(3R,4S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(hydroxymethyl)-4-phenylmethoxyoxolan-3-ol
CID 102489458
(2R,3R,4S,5R)-5-methyl-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-ol
CID 140986765
tert-butyl-diphenyl-[[(1S,4R,7R)-7-phenylmethoxy-2-oxabicyclo[2.2.1]hept-5-en-1-yl]methoxy]silane
CID 59638511
(2S,3R,4S,5R,6R)-6-[[(2S,3R,4S,5R,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxymethyl]-3,4,5-tris(phenylmethoxy)oxan-2-ol
CID 171124593
1-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-(methoxymethoxy)-7-(phenylmethoxymethoxy)-2-oxabicyclo[2.2.1]heptan-3-ol
CID 59483090
tert-butyl-[[(2S)-2-methyloxiran-2-yl]methoxy]-diphenylsilane
CID 11290341
(3R,4R,5R,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-fluoro-3,4-bis(phenylmethoxy)oxan-2-one
CID 140966529
tert-butyl (2R,3R,4R,5R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-(hydroxymethyl)-3,4-bis(phenylmethoxy)pyrrolidine-1-carboxylate
CID 11296899
(1R)-1-[(2S,4S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxyoxolan-2-yl]ethane-1,2-diol
CID 11452775
[(2S,3R,4S,5S)-2-acetyloxy-5-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-3-yl] acetate
CID 132519314

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[(2S,3R,4R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-hydroxy-3,4-bis(phenylmethoxy)oxolan-2-yl]ethane-1,2-diol?
The IUPAC name of (1R)-1-[(2S,3R,4R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-hydroxy-3,4-bis(phenylmethoxy)oxolan-2-yl]ethane-1,2-diol (CID 10077716) is (1R)-1-[(2S,3R,4R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-hydroxy-3,4-bis(phenylmethoxy)oxolan-2-yl]ethane-1,2-diol.
What is the SMILES notation for (1R)-1-[(2S,3R,4R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-hydroxy-3,4-bis(phenylmethoxy)oxolan-2-yl]ethane-1,2-diol?
The canonical SMILES for (1R)-1-[(2S,3R,4R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-hydroxy-3,4-bis(phenylmethoxy)oxolan-2-yl]ethane-1,2-diol is CC(C)(C)[Si](OC[C@@]1([C@H](O)CO)OC(O)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (1R)-1-[(2S,3R,4R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-hydroxy-3,4-bis(phenylmethoxy)oxolan-2-yl]ethane-1,2-diol?
The InChIKey is WULCLPCMRBMOLY-QDVFSRRFSA-N. The full InChI is InChI=1S/C37H44O7Si/c1-36(2,3)45(30-20-12-6-13-21-30,31-22-14-7-15-23-31)43-27-37(32(39)24-38)34(42-26-29-18-10-5-11-19-29)33(35(40)44-37)41-25-28-16-8-4-9-17-28/h4-23,32-35,38-40H,24-27H2,1-3H3/t32-,33-,34-,35?,37+/m1/s1.
What are the key properties of (1R)-1-[(2S,3R,4R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-hydroxy-3,4-bis(phenylmethoxy)oxolan-2-yl]ethane-1,2-diol?
(1R)-1-[(2S,3R,4R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-hydroxy-3,4-bis(phenylmethoxy)oxolan-2-yl]ethane-1,2-diol has a molecular weight of 628.84 g/mol, XLogP of 4.17, 13 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[(2S,3R,4R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-hydroxy-3,4-bis(phenylmethoxy)oxolan-2-yl]ethane-1,2-diol is sourced from PubChem (CID 10077716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).