(2R,3aR,4S,6R,6aR)-2-(4-methoxyphenyl)-6-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-ol

C33H32O7 — CID 11478258

IUPAC(2R,3aR,4S,6R,6aR)-2-(4-methoxyphenyl)-6-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-ol
SMILESCOc1ccc([C@H]2O[C@@H]3[C@H](O2)[C@@H](COC(c2ccccc2)(c2ccccc2)c2ccc(OC)cc2)O[C@@H]3O)cc1
InChIInChI=1S/C33H32O7/c1-35-26-17-13-22(14-18-26)32-39-29-28(38-31(34)30(29)40-32)21-37-33(23-9-5-3-6-10-23,24-11-7-4-8-12-24)25-15-19-27(36-2)20-16-25/h3-20,28-32,34H,21H2,1-2H3/t28-,29-,30-,31+,32-/m1/s1
InChIKeyIGZYHFYGVSEZAV-QDAPXQGYSA-N
MW540.61 g/mol
LogP5.21
Rot. Bonds9

About (2R,3aR,4S,6R,6aR)-2-(4-methoxyphenyl)-6-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-ol

(2R,3aR,4S,6R,6aR)-2-(4-methoxyphenyl)-6-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-ol (PubChem CID 11478258) has the molecular formula C33H32O7 and a molecular weight of 540.61 g/mol. Its IUPAC name is (2R,3aR,4S,6R,6aR)-2-(4-methoxyphenyl)-6-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-ol.

Molecular Properties

Compound Name(2R,3aR,4S,6R,6aR)-2-(4-methoxyphenyl)-6-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-ol
PubChem CID11478258
Molecular FormulaC33H32O7
Molecular Weight540.61 g/mol
Exact Mass540.21
IUPAC Name(2R,3aR,4S,6R,6aR)-2-(4-methoxyphenyl)-6-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-ol
SMILESCOc1ccc([C@H]2O[C@@H]3[C@H](O2)[C@@H](COC(c2ccccc2)(c2ccccc2)c2ccc(OC)cc2)O[C@@H]3O)cc1
InChIInChI=1S/C33H32O7/c1-35-26-17-13-22(14-18-26)32-39-29-28(38-31(34)30(29)40-32)21-37-33(23-9-5-3-6-10-23,24-11-7-4-8-12-24)25-15-19-27(36-2)20-16-25/h3-20,28-32,34H,21H2,1-2H3/t28-,29-,30-,31+,32-/m1/s1
InChIKeyIGZYHFYGVSEZAV-QDAPXQGYSA-N
XLogP5.21
TPSA75.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.61
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

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CID 89240141
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(2R,4R,5R,6R)-4-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-hydroxy-3,7-dioxa-1,9-diazatricyclo[6.4.0.02,6]dodeca-8,11-dien-10-one
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Frequently Asked Questions

What is the IUPAC name of (2R,3aR,4S,6R,6aR)-2-(4-methoxyphenyl)-6-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-ol?
The IUPAC name of (2R,3aR,4S,6R,6aR)-2-(4-methoxyphenyl)-6-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-ol (CID 11478258) is (2R,3aR,4S,6R,6aR)-2-(4-methoxyphenyl)-6-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-ol.
What is the SMILES notation for (2R,3aR,4S,6R,6aR)-2-(4-methoxyphenyl)-6-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-ol?
The canonical SMILES for (2R,3aR,4S,6R,6aR)-2-(4-methoxyphenyl)-6-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-ol is COc1ccc([C@H]2O[C@@H]3[C@H](O2)[C@@H](COC(c2ccccc2)(c2ccccc2)c2ccc(OC)cc2)O[C@@H]3O)cc1.
What is the InChIKey of (2R,3aR,4S,6R,6aR)-2-(4-methoxyphenyl)-6-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-ol?
The InChIKey is IGZYHFYGVSEZAV-QDAPXQGYSA-N. The full InChI is InChI=1S/C33H32O7/c1-35-26-17-13-22(14-18-26)32-39-29-28(38-31(34)30(29)40-32)21-37-33(23-9-5-3-6-10-23,24-11-7-4-8-12-24)25-15-19-27(36-2)20-16-25/h3-20,28-32,34H,21H2,1-2H3/t28-,29-,30-,31+,32-/m1/s1.
What are the key properties of (2R,3aR,4S,6R,6aR)-2-(4-methoxyphenyl)-6-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-ol?
(2R,3aR,4S,6R,6aR)-2-(4-methoxyphenyl)-6-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-ol has a molecular weight of 540.61 g/mol, XLogP of 5.21, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3aR,4S,6R,6aR)-2-(4-methoxyphenyl)-6-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-ol is sourced from PubChem (CID 11478258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).