(3R,4S,5R)-4-phenylmethoxy-5-(phenylmethoxymethyl)-5-(2-triethylsilylethynyl)oxolane-2,3-diol

C27H36O5Si — CID 174060756

IUPAC(3R,4S,5R)-4-phenylmethoxy-5-(phenylmethoxymethyl)-5-(2-triethylsilylethynyl)oxolane-2,3-diol
SMILESCC[Si](C#C[C@]1(COCc2ccccc2)OC(O)[C@H](O)[C@@H]1OCc1ccccc1)(CC)CC
InChIInChI=1S/C27H36O5Si/c1-4-33(5-2,6-3)18-17-27(21-30-19-22-13-9-7-10-14-22)25(24(28)26(29)32-27)31-20-23-15-11-8-12-16-23/h7-16,24-26,28-29H,4-6,19-21H2,1-3H3/t24-,25+,26?,27-/m1/s1
InChIKeyAUIVECIHLKGQIU-RIFKGGETSA-N
MW468.67 g/mol
LogP4.29
Rot. Bonds10

About (3R,4S,5R)-4-phenylmethoxy-5-(phenylmethoxymethyl)-5-(2-triethylsilylethynyl)oxolane-2,3-diol

(3R,4S,5R)-4-phenylmethoxy-5-(phenylmethoxymethyl)-5-(2-triethylsilylethynyl)oxolane-2,3-diol (PubChem CID 174060756) has the molecular formula C27H36O5Si and a molecular weight of 468.67 g/mol. Its IUPAC name is (3R,4S,5R)-4-phenylmethoxy-5-(phenylmethoxymethyl)-5-(2-triethylsilylethynyl)oxolane-2,3-diol.

Molecular Properties

Compound Name(3R,4S,5R)-4-phenylmethoxy-5-(phenylmethoxymethyl)-5-(2-triethylsilylethynyl)oxolane-2,3-diol
PubChem CID174060756
Molecular FormulaC27H36O5Si
Molecular Weight468.67 g/mol
Exact Mass468.23
IUPAC Name(3R,4S,5R)-4-phenylmethoxy-5-(phenylmethoxymethyl)-5-(2-triethylsilylethynyl)oxolane-2,3-diol
SMILESCC[Si](C#C[C@]1(COCc2ccccc2)OC(O)[C@H](O)[C@@H]1OCc1ccccc1)(CC)CC
InChIInChI=1S/C27H36O5Si/c1-4-33(5-2,6-3)18-17-27(21-30-19-22-13-9-7-10-14-22)25(24(28)26(29)32-27)31-20-23-15-11-8-12-16-23/h7-16,24-26,28-29H,4-6,19-21H2,1-3H3/t24-,25+,26?,27-/m1/s1
InChIKeyAUIVECIHLKGQIU-RIFKGGETSA-N
XLogP4.29
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.67
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2R,3R,4S,5R)-5-methyl-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-ol
CID 140986765
5-methyl-1-[(2R,3R,4S,5R)-3-phenoxycarbothioyloxy-4-phenylmethoxy-5-(phenylmethoxymethyl)-5-(2-triethylsilylethynyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 10676307
(2R)-2-(5-methyl-2,4-dioxopyrimidin-1-yl)-2-[(3R,4S,5R)-4-phenylmethoxy-5-(phenylmethoxymethyl)-5-(2-triethylsilylethynyl)oxolan-3-yl]acetic acid
CID 175067753
(3R,4S,5S)-6,6-bis[(4-methoxyphenyl)methoxymethyl]-3,4,5-tris(phenylmethoxy)oxan-2-ol
CID 59226849
(1R,2R,4S,5S,6R)-5,6-bis(phenylmethoxy)-4-(phenylmethoxymethyl)cyclohexane-1,2,4-triol
CID 11048887
(3R,4S,5S)-4-phenylmethoxy-5-(4-triethylsilylbuta-1,3-diynyl)oxolan-3-ol
CID 56599853
(3R,4S,5S)-5-methyl-6,6-bis[(4-methylphenyl)methoxymethyl]-3,4-bis(phenylmethoxy)oxan-2-ol
CID 70558417
(3R,7S)-3,4,7-trihydroxy-6-phenylmethoxy-2-oxabicyclo[3.2.0]heptane-5-carbonitrile
CID 143348072
(3aR,4R,5R,6S,7R,7aR)-2,2-dimethyl-4,7-bis(phenylmethoxy)-3a,4,5,6,7,7a-hexahydro-1,3-benzodioxole-5,6-diol
CID 10715972
(1S,4R,5S,6R,7R,8R)-5,7-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-2,9-dioxabicyclo[4.2.1]nonane-4,8-diol
CID 15484325
(2R,3S,4R,5S,6R)-6-methyl-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)oxan-2-ol
CID 134856100
(1R,3R,4R,5S,6R)-3-methoxy-4-phenylmethoxy-1-(phenylmethoxymethyl)-2-oxabicyclo[4.1.0]heptan-5-ol
CID 11958276

Frequently Asked Questions

What is the IUPAC name of (3R,4S,5R)-4-phenylmethoxy-5-(phenylmethoxymethyl)-5-(2-triethylsilylethynyl)oxolane-2,3-diol?
The IUPAC name of (3R,4S,5R)-4-phenylmethoxy-5-(phenylmethoxymethyl)-5-(2-triethylsilylethynyl)oxolane-2,3-diol (CID 174060756) is (3R,4S,5R)-4-phenylmethoxy-5-(phenylmethoxymethyl)-5-(2-triethylsilylethynyl)oxolane-2,3-diol.
What is the SMILES notation for (3R,4S,5R)-4-phenylmethoxy-5-(phenylmethoxymethyl)-5-(2-triethylsilylethynyl)oxolane-2,3-diol?
The canonical SMILES for (3R,4S,5R)-4-phenylmethoxy-5-(phenylmethoxymethyl)-5-(2-triethylsilylethynyl)oxolane-2,3-diol is CC[Si](C#C[C@]1(COCc2ccccc2)OC(O)[C@H](O)[C@@H]1OCc1ccccc1)(CC)CC.
What is the InChIKey of (3R,4S,5R)-4-phenylmethoxy-5-(phenylmethoxymethyl)-5-(2-triethylsilylethynyl)oxolane-2,3-diol?
The InChIKey is AUIVECIHLKGQIU-RIFKGGETSA-N. The full InChI is InChI=1S/C27H36O5Si/c1-4-33(5-2,6-3)18-17-27(21-30-19-22-13-9-7-10-14-22)25(24(28)26(29)32-27)31-20-23-15-11-8-12-16-23/h7-16,24-26,28-29H,4-6,19-21H2,1-3H3/t24-,25+,26?,27-/m1/s1.
What are the key properties of (3R,4S,5R)-4-phenylmethoxy-5-(phenylmethoxymethyl)-5-(2-triethylsilylethynyl)oxolane-2,3-diol?
(3R,4S,5R)-4-phenylmethoxy-5-(phenylmethoxymethyl)-5-(2-triethylsilylethynyl)oxolane-2,3-diol has a molecular weight of 468.67 g/mol, XLogP of 4.29, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S,5R)-4-phenylmethoxy-5-(phenylmethoxymethyl)-5-(2-triethylsilylethynyl)oxolane-2,3-diol is sourced from PubChem (CID 174060756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).