(2R,3R,4S,5R,6S)-6-methoxy-4,5-bis(phenylmethoxy)-2-(trityloxymethyl)oxan-3-ol

C40H40O6 — CID 11734771

IUPAC(2R,3R,4S,5R,6S)-6-methoxy-4,5-bis(phenylmethoxy)-2-(trityloxymethyl)oxan-3-ol
SMILESCO[C@H]1O[C@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@@H](O)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1
InChIInChI=1S/C40H40O6/c1-42-39-38(44-28-31-19-9-3-10-20-31)37(43-27-30-17-7-2-8-18-30)36(41)35(46-39)29-45-40(32-21-11-4-12-22-32,33-23-13-5-14-24-33)34-25-15-6-16-26-34/h2-26,35-39,41H,27-29H2,1H3/t35-,36-,37+,38-,39+/m1/s1
InChIKeyGZWDCFUAYQOXTM-QGVRFUEOSA-N
MW616.75 g/mol
LogP6.90
Rot. Bonds13

About (2R,3R,4S,5R,6S)-6-methoxy-4,5-bis(phenylmethoxy)-2-(trityloxymethyl)oxan-3-ol

(2R,3R,4S,5R,6S)-6-methoxy-4,5-bis(phenylmethoxy)-2-(trityloxymethyl)oxan-3-ol (PubChem CID 11734771) has the molecular formula C40H40O6 and a molecular weight of 616.75 g/mol. Its IUPAC name is (2R,3R,4S,5R,6S)-6-methoxy-4,5-bis(phenylmethoxy)-2-(trityloxymethyl)oxan-3-ol.

Molecular Properties

Compound Name(2R,3R,4S,5R,6S)-6-methoxy-4,5-bis(phenylmethoxy)-2-(trityloxymethyl)oxan-3-ol
PubChem CID11734771
Molecular FormulaC40H40O6
Molecular Weight616.75 g/mol
Exact Mass616.28
IUPAC Name(2R,3R,4S,5R,6S)-6-methoxy-4,5-bis(phenylmethoxy)-2-(trityloxymethyl)oxan-3-ol
SMILESCO[C@H]1O[C@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@@H](O)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1
InChIInChI=1S/C40H40O6/c1-42-39-38(44-28-31-19-9-3-10-20-31)37(43-27-30-17-7-2-8-18-30)36(41)35(46-39)29-45-40(32-21-11-4-12-22-32,33-23-13-5-14-24-33)34-25-15-6-16-26-34/h2-26,35-39,41H,27-29H2,1H3/t35-,36-,37+,38-,39+/m1/s1
InChIKeyGZWDCFUAYQOXTM-QGVRFUEOSA-N
XLogP6.90
TPSA66.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500616.75
LogP ≤ 56.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (2R,3R,4S,5R,6S)-6-methoxy-4,5-bis(phenylmethoxy)-2-(trityloxymethyl)oxan-3-ol with MolForge

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Related Compounds

(2S,3R,4S,5R,6R)-2-methoxy-3,4-bis(phenylmethoxy)-5-prop-2-enoxy-6-(trityloxymethyl)oxane
CID 15947732
(2S,3S,4S,5S,6R)-2-phenylmethoxy-6-(trityloxymethyl)oxane-3,4,5-triol
CID 10459079
(2R,3S,4S,5R)-2-(hydroxymethyl)-6-methoxy-4,5-bis(phenylmethoxy)oxan-3-ol
CID 102185522
2,3,4-tris(phenylmethoxy)-5-(trityloxymethyl)oxolane
CID 14779420
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
(2S,3S,4S,5R,6R)-2-methoxy-6-[[(2-methoxyphenyl)-diphenylmethoxy]methyl]-3,4,5-tris(phenylmethoxy)oxane
CID 70896291
(2R,3S,4S,5R,6S)-6-(4-nitrophenoxy)-4,5-bis(phenylmethoxy)-2-(trityloxymethyl)oxan-3-ol
CID 20676521
[5-hydroxy-2-methoxy-3-[2-(phenylmethoxycarbonylamino)acetyl]oxy-6-(trityloxymethyl)oxan-4-yl] 2-(phenylmethoxycarbonylamino)acetate
CID 5090453
(1R,2S,4R,5S,6R)-2-methoxy-4-(trityloxymethyl)-3,7-dioxabicyclo[4.1.0]heptan-5-ol
CID 15708619

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5R,6S)-6-methoxy-4,5-bis(phenylmethoxy)-2-(trityloxymethyl)oxan-3-ol?
The IUPAC name of (2R,3R,4S,5R,6S)-6-methoxy-4,5-bis(phenylmethoxy)-2-(trityloxymethyl)oxan-3-ol (CID 11734771) is (2R,3R,4S,5R,6S)-6-methoxy-4,5-bis(phenylmethoxy)-2-(trityloxymethyl)oxan-3-ol.
What is the SMILES notation for (2R,3R,4S,5R,6S)-6-methoxy-4,5-bis(phenylmethoxy)-2-(trityloxymethyl)oxan-3-ol?
The canonical SMILES for (2R,3R,4S,5R,6S)-6-methoxy-4,5-bis(phenylmethoxy)-2-(trityloxymethyl)oxan-3-ol is CO[C@H]1O[C@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@@H](O)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1.
What is the InChIKey of (2R,3R,4S,5R,6S)-6-methoxy-4,5-bis(phenylmethoxy)-2-(trityloxymethyl)oxan-3-ol?
The InChIKey is GZWDCFUAYQOXTM-QGVRFUEOSA-N. The full InChI is InChI=1S/C40H40O6/c1-42-39-38(44-28-31-19-9-3-10-20-31)37(43-27-30-17-7-2-8-18-30)36(41)35(46-39)29-45-40(32-21-11-4-12-22-32,33-23-13-5-14-24-33)34-25-15-6-16-26-34/h2-26,35-39,41H,27-29H2,1H3/t35-,36-,37+,38-,39+/m1/s1.
What are the key properties of (2R,3R,4S,5R,6S)-6-methoxy-4,5-bis(phenylmethoxy)-2-(trityloxymethyl)oxan-3-ol?
(2R,3R,4S,5R,6S)-6-methoxy-4,5-bis(phenylmethoxy)-2-(trityloxymethyl)oxan-3-ol has a molecular weight of 616.75 g/mol, XLogP of 6.90, 13 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5R,6S)-6-methoxy-4,5-bis(phenylmethoxy)-2-(trityloxymethyl)oxan-3-ol is sourced from PubChem (CID 11734771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).