(2R,3R,6S)-6-propan-2-yloxy-2-(trityloxymethyl)-3,6-dihydro-2H-pyran-3-ol

C28H30O4 — CID 11316368

IUPAC(2R,3R,6S)-6-propan-2-yloxy-2-(trityloxymethyl)-3,6-dihydro-2H-pyran-3-ol
SMILESCC(C)O[C@@H]1C=C[C@@H](O)[C@@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)O1
InChIInChI=1S/C28H30O4/c1-21(2)31-27-19-18-25(29)26(32-27)20-30-28(22-12-6-3-7-13-22,23-14-8-4-9-15-23)24-16-10-5-11-17-24/h3-19,21,25-27,29H,20H2,1-2H3/t25-,26-,27+/m1/s1
InChIKeyIJUQFUVHBGGGNV-PFBJBMPXSA-N
MW430.54 g/mol
LogP5.06
Rot. Bonds8

About (2R,3R,6S)-6-propan-2-yloxy-2-(trityloxymethyl)-3,6-dihydro-2H-pyran-3-ol

(2R,3R,6S)-6-propan-2-yloxy-2-(trityloxymethyl)-3,6-dihydro-2H-pyran-3-ol (PubChem CID 11316368) has the molecular formula C28H30O4 and a molecular weight of 430.54 g/mol. Its IUPAC name is (2R,3R,6S)-6-propan-2-yloxy-2-(trityloxymethyl)-3,6-dihydro-2H-pyran-3-ol.

Molecular Properties

Compound Name(2R,3R,6S)-6-propan-2-yloxy-2-(trityloxymethyl)-3,6-dihydro-2H-pyran-3-ol
PubChem CID11316368
Molecular FormulaC28H30O4
Molecular Weight430.54 g/mol
Exact Mass430.21
IUPAC Name(2R,3R,6S)-6-propan-2-yloxy-2-(trityloxymethyl)-3,6-dihydro-2H-pyran-3-ol
SMILESCC(C)O[C@@H]1C=C[C@@H](O)[C@@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)O1
InChIInChI=1S/C28H30O4/c1-21(2)31-27-19-18-25(29)26(32-27)20-30-28(22-12-6-3-7-13-22,23-14-8-4-9-15-23)24-16-10-5-11-17-24/h3-19,21,25-27,29H,20H2,1-2H3/t25-,26-,27+/m1/s1
InChIKeyIJUQFUVHBGGGNV-PFBJBMPXSA-N
XLogP5.06
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.54
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

2-(trityloxymethyl)oxane-3,4,5-triol
CID 73104798
(2S,3R,4R)-2-(trityloxymethyl)oxolane-3,4-diol
CID 101240446
(2S,4S,5R)-5-(trityloxymethyl)oxolane-2,4-diol
CID 171126516
2-methoxy-5-(trityloxymethyl)oxolane-3,4-diol
CID 618218
(2S,3R,4S,5R)-2-methoxy-5-(trityloxymethyl)oxolane-3,4-diol
CID 70409526
(2R,3R,4S,5R,6R)-2-methoxy-6-(trityloxymethyl)oxane-3,4,5-triol
CID 21139713
(2S,3R,4R,5S,6S)-2-methoxy-6-(trityloxymethyl)oxane-3,4,5-triol
CID 7332588
2-phenyl-3-(trityloxymethyl)oxirane
CID 23443485
(2R,3S,4R,6S)-6-methoxy-2-(trityloxymethyl)oxane-3,4-diol
CID 11811858
(1S)-1-[(2R,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-(trityloxymethyl)oxolan-2-yl]ethanol
CID 11285204
(2R,3R,4R,5R,6S)-3-iodo-6-(trityloxymethyl)oxane-2,4,5-triol
CID 171122589
(2S,3S,4S,5R,6R)-5-fluoro-6-(trityloxymethyl)oxane-2,3,4-triol
CID 171123594

Frequently Asked Questions

What is the IUPAC name of (2R,3R,6S)-6-propan-2-yloxy-2-(trityloxymethyl)-3,6-dihydro-2H-pyran-3-ol?
The IUPAC name of (2R,3R,6S)-6-propan-2-yloxy-2-(trityloxymethyl)-3,6-dihydro-2H-pyran-3-ol (CID 11316368) is (2R,3R,6S)-6-propan-2-yloxy-2-(trityloxymethyl)-3,6-dihydro-2H-pyran-3-ol.
What is the SMILES notation for (2R,3R,6S)-6-propan-2-yloxy-2-(trityloxymethyl)-3,6-dihydro-2H-pyran-3-ol?
The canonical SMILES for (2R,3R,6S)-6-propan-2-yloxy-2-(trityloxymethyl)-3,6-dihydro-2H-pyran-3-ol is CC(C)O[C@@H]1C=C[C@@H](O)[C@@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)O1.
What is the InChIKey of (2R,3R,6S)-6-propan-2-yloxy-2-(trityloxymethyl)-3,6-dihydro-2H-pyran-3-ol?
The InChIKey is IJUQFUVHBGGGNV-PFBJBMPXSA-N. The full InChI is InChI=1S/C28H30O4/c1-21(2)31-27-19-18-25(29)26(32-27)20-30-28(22-12-6-3-7-13-22,23-14-8-4-9-15-23)24-16-10-5-11-17-24/h3-19,21,25-27,29H,20H2,1-2H3/t25-,26-,27+/m1/s1.
What are the key properties of (2R,3R,6S)-6-propan-2-yloxy-2-(trityloxymethyl)-3,6-dihydro-2H-pyran-3-ol?
(2R,3R,6S)-6-propan-2-yloxy-2-(trityloxymethyl)-3,6-dihydro-2H-pyran-3-ol has a molecular weight of 430.54 g/mol, XLogP of 5.06, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,6S)-6-propan-2-yloxy-2-(trityloxymethyl)-3,6-dihydro-2H-pyran-3-ol is sourced from PubChem (CID 11316368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).