(2S,3R,4R)-3,4-bis[(3,4,5-trimethoxyphenyl)methyl]oxolan-2-ol

C24H32O8 — CID 162911530

IUPAC(2S,3R,4R)-3,4-bis[(3,4,5-trimethoxyphenyl)methyl]oxolan-2-ol
SMILESCOc1cc(C[C@H]2CO[C@H](O)[C@@H]2Cc2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC
InChIInChI=1S/C24H32O8/c1-26-18-9-14(10-19(27-2)22(18)30-5)7-16-13-32-24(25)17(16)8-15-11-20(28-3)23(31-6)21(12-15)29-4/h9-12,16-17,24-25H,7-8,13H2,1-6H3/t16-,17+,24-/m0/s1
InChIKeyPIYHDSUVUSVLGU-SRGWNRLKSA-N
MW448.51 g/mol
LogP3.10
Rot. Bonds10

About (2S,3R,4R)-3,4-bis[(3,4,5-trimethoxyphenyl)methyl]oxolan-2-ol

(2S,3R,4R)-3,4-bis[(3,4,5-trimethoxyphenyl)methyl]oxolan-2-ol (PubChem CID 162911530) has the molecular formula C24H32O8 and a molecular weight of 448.51 g/mol. Its IUPAC name is (2S,3R,4R)-3,4-bis[(3,4,5-trimethoxyphenyl)methyl]oxolan-2-ol.

Molecular Properties

Compound Name(2S,3R,4R)-3,4-bis[(3,4,5-trimethoxyphenyl)methyl]oxolan-2-ol
PubChem CID162911530
Molecular FormulaC24H32O8
Molecular Weight448.51 g/mol
Exact Mass448.21
IUPAC Name(2S,3R,4R)-3,4-bis[(3,4,5-trimethoxyphenyl)methyl]oxolan-2-ol
SMILESCOc1cc(C[C@H]2CO[C@H](O)[C@@H]2Cc2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC
InChIInChI=1S/C24H32O8/c1-26-18-9-14(10-19(27-2)22(18)30-5)7-16-13-32-24(25)17(16)8-15-11-20(28-3)23(31-6)21(12-15)29-4/h9-12,16-17,24-25H,7-8,13H2,1-6H3/t16-,17+,24-/m0/s1
InChIKeyPIYHDSUVUSVLGU-SRGWNRLKSA-N
XLogP3.10
TPSA84.84 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.51
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (2S,3R,4R)-3,4-bis[(3,4,5-trimethoxyphenyl)methyl]oxolan-2-ol?
The IUPAC name of (2S,3R,4R)-3,4-bis[(3,4,5-trimethoxyphenyl)methyl]oxolan-2-ol (CID 162911530) is (2S,3R,4R)-3,4-bis[(3,4,5-trimethoxyphenyl)methyl]oxolan-2-ol.
What is the SMILES notation for (2S,3R,4R)-3,4-bis[(3,4,5-trimethoxyphenyl)methyl]oxolan-2-ol?
The canonical SMILES for (2S,3R,4R)-3,4-bis[(3,4,5-trimethoxyphenyl)methyl]oxolan-2-ol is COc1cc(C[C@H]2CO[C@H](O)[C@@H]2Cc2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC.
What is the InChIKey of (2S,3R,4R)-3,4-bis[(3,4,5-trimethoxyphenyl)methyl]oxolan-2-ol?
The InChIKey is PIYHDSUVUSVLGU-SRGWNRLKSA-N. The full InChI is InChI=1S/C24H32O8/c1-26-18-9-14(10-19(27-2)22(18)30-5)7-16-13-32-24(25)17(16)8-15-11-20(28-3)23(31-6)21(12-15)29-4/h9-12,16-17,24-25H,7-8,13H2,1-6H3/t16-,17+,24-/m0/s1.
What are the key properties of (2S,3R,4R)-3,4-bis[(3,4,5-trimethoxyphenyl)methyl]oxolan-2-ol?
(2S,3R,4R)-3,4-bis[(3,4,5-trimethoxyphenyl)methyl]oxolan-2-ol has a molecular weight of 448.51 g/mol, XLogP of 3.10, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4R)-3,4-bis[(3,4,5-trimethoxyphenyl)methyl]oxolan-2-ol is sourced from PubChem (CID 162911530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).