(4R,5S,6R)-4,5-bis(phenylmethoxy)-6-(trityloxymethyl)oxan-2-ol

C39H38O5 — CID 71530577

IUPAC(4R,5S,6R)-4,5-bis(phenylmethoxy)-6-(trityloxymethyl)oxan-2-ol
SMILESOC1C[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)O1
InChIInChI=1S/C39H38O5/c40-37-26-35(41-27-30-16-6-1-7-17-30)38(42-28-31-18-8-2-9-19-31)36(44-37)29-43-39(32-20-10-3-11-21-32,33-22-12-4-13-23-33)34-24-14-5-15-25-34/h1-25,35-38,40H,26-29H2/t35-,36-,37?,38+/m1/s1
InChIKeyQBVVFMPYOLWKHE-HKKBOHPISA-N
MW586.73 g/mol
LogP7.27
Rot. Bonds12

About (4R,5S,6R)-4,5-bis(phenylmethoxy)-6-(trityloxymethyl)oxan-2-ol

(4R,5S,6R)-4,5-bis(phenylmethoxy)-6-(trityloxymethyl)oxan-2-ol (PubChem CID 71530577) has the molecular formula C39H38O5 and a molecular weight of 586.73 g/mol. Its IUPAC name is (4R,5S,6R)-4,5-bis(phenylmethoxy)-6-(trityloxymethyl)oxan-2-ol.

Molecular Properties

Compound Name(4R,5S,6R)-4,5-bis(phenylmethoxy)-6-(trityloxymethyl)oxan-2-ol
PubChem CID71530577
Molecular FormulaC39H38O5
Molecular Weight586.73 g/mol
Exact Mass586.27
IUPAC Name(4R,5S,6R)-4,5-bis(phenylmethoxy)-6-(trityloxymethyl)oxan-2-ol
SMILESOC1C[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)O1
InChIInChI=1S/C39H38O5/c40-37-26-35(41-27-30-16-6-1-7-17-30)38(42-28-31-18-8-2-9-19-31)36(44-37)29-43-39(32-20-10-3-11-21-32,33-22-12-4-13-23-33)34-24-14-5-15-25-34/h1-25,35-38,40H,26-29H2/t35-,36-,37?,38+/m1/s1
InChIKeyQBVVFMPYOLWKHE-HKKBOHPISA-N
XLogP7.27
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500586.73
LogP ≤ 57.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3,4,5-tris(phenylmethoxy)-6-(trityloxymethyl)oxan-2-ol
CID 76503472
[(2R,3S,4S,6R)-6-hydroxy-4-phenylmethoxy-2-(trityloxymethyl)oxan-3-yl] 4-methylbenzenesulfonate
CID 171125987
2,3,4-tris(phenylmethoxy)-5-(trityloxymethyl)oxolane
CID 14779420
(2S,4S,5R)-5-(trityloxymethyl)oxolane-2,4-diol
CID 171126516
[2-hydroxy-4,5-bis(phenylmethoxy)-6-(trityloxymethyl)oxan-3-yl] acetate
CID 171122090
(3R,4S,5R,6R)-3,5-bis[(4-methoxyphenyl)methoxy]-4-phenylmethoxy-6-(trityloxymethyl)oxan-2-ol
CID 10897967
(2S,3S,4R,5R,6R)-4-phenylmethoxy-3,5-bis(prop-2-enoxy)-2-prop-2-enyl-6-(trityloxymethyl)oxane
CID 11072183
[(3S)-3-acetyloxy-6-hydroxy-2-(trityloxymethyl)oxan-4-yl] acetate
CID 171125559
(2R,3R,4S,5R,6S)-6-methoxy-4,5-bis(phenylmethoxy)-2-(trityloxymethyl)oxan-3-ol
CID 11734771
(2S,3S,4S,5S,6R)-2-phenylmethoxy-6-(trityloxymethyl)oxane-3,4,5-triol
CID 10459079
(5S)-6-methyl-4,5-bis(phenylmethoxy)oxan-2-ol
CID 126612131
(2S,4R,5R,6S)-4,5-bis(phenylmethoxy)-6-(trifluoromethyl)oxan-2-ol
CID 67569911

Frequently Asked Questions

What is the IUPAC name of (4R,5S,6R)-4,5-bis(phenylmethoxy)-6-(trityloxymethyl)oxan-2-ol?
The IUPAC name of (4R,5S,6R)-4,5-bis(phenylmethoxy)-6-(trityloxymethyl)oxan-2-ol (CID 71530577) is (4R,5S,6R)-4,5-bis(phenylmethoxy)-6-(trityloxymethyl)oxan-2-ol.
What is the SMILES notation for (4R,5S,6R)-4,5-bis(phenylmethoxy)-6-(trityloxymethyl)oxan-2-ol?
The canonical SMILES for (4R,5S,6R)-4,5-bis(phenylmethoxy)-6-(trityloxymethyl)oxan-2-ol is OC1C[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)O1.
What is the InChIKey of (4R,5S,6R)-4,5-bis(phenylmethoxy)-6-(trityloxymethyl)oxan-2-ol?
The InChIKey is QBVVFMPYOLWKHE-HKKBOHPISA-N. The full InChI is InChI=1S/C39H38O5/c40-37-26-35(41-27-30-16-6-1-7-17-30)38(42-28-31-18-8-2-9-19-31)36(44-37)29-43-39(32-20-10-3-11-21-32,33-22-12-4-13-23-33)34-24-14-5-15-25-34/h1-25,35-38,40H,26-29H2/t35-,36-,37?,38+/m1/s1.
What are the key properties of (4R,5S,6R)-4,5-bis(phenylmethoxy)-6-(trityloxymethyl)oxan-2-ol?
(4R,5S,6R)-4,5-bis(phenylmethoxy)-6-(trityloxymethyl)oxan-2-ol has a molecular weight of 586.73 g/mol, XLogP of 7.27, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S,6R)-4,5-bis(phenylmethoxy)-6-(trityloxymethyl)oxan-2-ol is sourced from PubChem (CID 71530577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).