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

C48H48O8 — CID 10897967

IUPAC(3R,4S,5R,6R)-3,5-bis[(4-methoxyphenyl)methoxy]-4-phenylmethoxy-6-(trityloxymethyl)oxan-2-ol
SMILESCOc1ccc(CO[C@H]2[C@H](OCc3ccccc3)[C@@H](OCc3ccc(OC)cc3)C(O)O[C@@H]2COC(c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C48H48O8/c1-50-41-27-23-36(24-28-41)32-52-44-43(34-55-48(38-17-9-4-10-18-38,39-19-11-5-12-20-39)40-21-13-6-14-22-40)56-47(49)46(45(44)53-31-35-15-7-3-8-16-35)54-33-37-25-29-42(51-2)30-26-37/h3-30,43-47,49H,31-34H2,1-2H3/t43-,44-,45+,46-,47?/m1/s1
InChIKeyCFBXKJOHDFLDPS-VEWVWOIWSA-N
MW752.90 g/mol
LogP8.49
Rot. Bonds17

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

(3R,4S,5R,6R)-3,5-bis[(4-methoxyphenyl)methoxy]-4-phenylmethoxy-6-(trityloxymethyl)oxan-2-ol (PubChem CID 10897967) has the molecular formula C48H48O8 and a molecular weight of 752.90 g/mol. Its IUPAC name is (3R,4S,5R,6R)-3,5-bis[(4-methoxyphenyl)methoxy]-4-phenylmethoxy-6-(trityloxymethyl)oxan-2-ol.

Molecular Properties

Compound Name(3R,4S,5R,6R)-3,5-bis[(4-methoxyphenyl)methoxy]-4-phenylmethoxy-6-(trityloxymethyl)oxan-2-ol
PubChem CID10897967
Molecular FormulaC48H48O8
Molecular Weight752.90 g/mol
Exact Mass752.33
IUPAC Name(3R,4S,5R,6R)-3,5-bis[(4-methoxyphenyl)methoxy]-4-phenylmethoxy-6-(trityloxymethyl)oxan-2-ol
SMILESCOc1ccc(CO[C@H]2[C@H](OCc3ccccc3)[C@@H](OCc3ccc(OC)cc3)C(O)O[C@@H]2COC(c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C48H48O8/c1-50-41-27-23-36(24-28-41)32-52-44-43(34-55-48(38-17-9-4-10-18-38,39-19-11-5-12-20-39)40-21-13-6-14-22-40)56-47(49)46(45(44)53-31-35-15-7-3-8-16-35)54-33-37-25-29-42(51-2)30-26-37/h3-30,43-47,49H,31-34H2,1-2H3/t43-,44-,45+,46-,47?/m1/s1
InChIKeyCFBXKJOHDFLDPS-VEWVWOIWSA-N
XLogP8.49
TPSA84.84 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds17
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500752.90
LogP ≤ 58.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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
(2S,3R,4S,5R,6R)-3-[(4-methoxyphenyl)methoxy]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-ol
CID 171125035
[2-hydroxy-4,5-bis(phenylmethoxy)-6-(trityloxymethyl)oxan-3-yl] acetate
CID 171122090
(2R,3R,4S,5S,6R)-3,4-dimethoxy-6-[(4-methoxyphenyl)methoxymethyl]-5-phenylmethoxyoxan-2-ol
CID 171123644
(3R,4R,5S,6S)-4-[(4-methoxyphenyl)methoxy]-6-methyl-3,5-bis(phenylmethoxy)oxan-2-ol
CID 11762365
(2R,3R,4S,5R,6R)-6-[[(2R,3R,4R,5S,6R)-3-amino-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxymethyl]-5-[(4-methoxyphenyl)methoxy]-3,4-bis(phenylmethoxy)oxan-2-ol
CID 171124149
(3R,4R,5R)-5-(methoxymethyl)-3,4-bis(phenylmethoxy)oxolan-2-ol
CID 54024866
2,3,4-tris(phenylmethoxy)-5-(trityloxymethyl)oxolane
CID 14779420
[(2R,3S,4S,6R)-3-acetyloxy-6-[[(2R,3R,4S,5R,6S)-6-hydroxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]-2-(trityloxymethyl)oxan-4-yl] acetate
CID 171123467
(4R,5S,6R)-4,5-bis(phenylmethoxy)-6-(trityloxymethyl)oxan-2-ol
CID 71530577
(2S,4R,4aS,6R,7S,8S,8aR)-2-(4-methoxyphenyl)-7,8-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-4-(trityloxymethyl)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine
CID 25170282
(2R,3R,4S,5R,6S)-6-methoxy-4,5-bis(phenylmethoxy)-2-(trityloxymethyl)oxan-3-ol
CID 11734771

Frequently Asked Questions

What is the IUPAC name of (3R,4S,5R,6R)-3,5-bis[(4-methoxyphenyl)methoxy]-4-phenylmethoxy-6-(trityloxymethyl)oxan-2-ol?
The IUPAC name of (3R,4S,5R,6R)-3,5-bis[(4-methoxyphenyl)methoxy]-4-phenylmethoxy-6-(trityloxymethyl)oxan-2-ol (CID 10897967) is (3R,4S,5R,6R)-3,5-bis[(4-methoxyphenyl)methoxy]-4-phenylmethoxy-6-(trityloxymethyl)oxan-2-ol.
What is the SMILES notation for (3R,4S,5R,6R)-3,5-bis[(4-methoxyphenyl)methoxy]-4-phenylmethoxy-6-(trityloxymethyl)oxan-2-ol?
The canonical SMILES for (3R,4S,5R,6R)-3,5-bis[(4-methoxyphenyl)methoxy]-4-phenylmethoxy-6-(trityloxymethyl)oxan-2-ol is COc1ccc(CO[C@H]2[C@H](OCc3ccccc3)[C@@H](OCc3ccc(OC)cc3)C(O)O[C@@H]2COC(c2ccccc2)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of (3R,4S,5R,6R)-3,5-bis[(4-methoxyphenyl)methoxy]-4-phenylmethoxy-6-(trityloxymethyl)oxan-2-ol?
The InChIKey is CFBXKJOHDFLDPS-VEWVWOIWSA-N. The full InChI is InChI=1S/C48H48O8/c1-50-41-27-23-36(24-28-41)32-52-44-43(34-55-48(38-17-9-4-10-18-38,39-19-11-5-12-20-39)40-21-13-6-14-22-40)56-47(49)46(45(44)53-31-35-15-7-3-8-16-35)54-33-37-25-29-42(51-2)30-26-37/h3-30,43-47,49H,31-34H2,1-2H3/t43-,44-,45+,46-,47?/m1/s1.
What are the key properties of (3R,4S,5R,6R)-3,5-bis[(4-methoxyphenyl)methoxy]-4-phenylmethoxy-6-(trityloxymethyl)oxan-2-ol?
(3R,4S,5R,6R)-3,5-bis[(4-methoxyphenyl)methoxy]-4-phenylmethoxy-6-(trityloxymethyl)oxan-2-ol has a molecular weight of 752.90 g/mol, XLogP of 8.49, 17 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S,5R,6R)-3,5-bis[(4-methoxyphenyl)methoxy]-4-phenylmethoxy-6-(trityloxymethyl)oxan-2-ol is sourced from PubChem (CID 10897967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).