(3R,4S,5S)-3,4-bis(2-methoxyethoxymethoxy)-5-(trityloxymethyl)oxolan-2-one

C32H38O9 — CID 11649844

IUPAC(3R,4S,5S)-3,4-bis(2-methoxyethoxymethoxy)-5-(trityloxymethyl)oxolan-2-one
SMILESCOCCOCO[C@H]1[C@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)OC(=O)[C@@H]1OCOCCOC
InChIInChI=1S/C32H38O9/c1-34-18-20-36-23-38-29-28(41-31(33)30(29)39-24-37-21-19-35-2)22-40-32(25-12-6-3-7-13-25,26-14-8-4-9-15-26)27-16-10-5-11-17-27/h3-17,28-30H,18-24H2,1-2H3/t28-,29-,30+/m0/s1
InChIKeyPDAAQQWFNOGTRH-OIFRRMEBSA-N
MW566.65 g/mol
LogP3.93
Rot. Bonds18

About (3R,4S,5S)-3,4-bis(2-methoxyethoxymethoxy)-5-(trityloxymethyl)oxolan-2-one

(3R,4S,5S)-3,4-bis(2-methoxyethoxymethoxy)-5-(trityloxymethyl)oxolan-2-one (PubChem CID 11649844) has the molecular formula C32H38O9 and a molecular weight of 566.65 g/mol. Its IUPAC name is (3R,4S,5S)-3,4-bis(2-methoxyethoxymethoxy)-5-(trityloxymethyl)oxolan-2-one.

Molecular Properties

Compound Name(3R,4S,5S)-3,4-bis(2-methoxyethoxymethoxy)-5-(trityloxymethyl)oxolan-2-one
PubChem CID11649844
Molecular FormulaC32H38O9
Molecular Weight566.65 g/mol
Exact Mass566.25
IUPAC Name(3R,4S,5S)-3,4-bis(2-methoxyethoxymethoxy)-5-(trityloxymethyl)oxolan-2-one
SMILESCOCCOCO[C@H]1[C@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)OC(=O)[C@@H]1OCOCCOC
InChIInChI=1S/C32H38O9/c1-34-18-20-36-23-38-29-28(41-31(33)30(29)39-24-37-21-19-35-2)22-40-32(25-12-6-3-7-13-25,26-14-8-4-9-15-26)27-16-10-5-11-17-27/h3-17,28-30H,18-24H2,1-2H3/t28-,29-,30+/m0/s1
InChIKeyPDAAQQWFNOGTRH-OIFRRMEBSA-N
XLogP3.93
TPSA90.91 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds18
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500566.65
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3R,4S,5S)-3,4-bis(2-methoxyethoxymethoxy)-5-(trityloxymethyl)oxolan-2-one?
The IUPAC name of (3R,4S,5S)-3,4-bis(2-methoxyethoxymethoxy)-5-(trityloxymethyl)oxolan-2-one (CID 11649844) is (3R,4S,5S)-3,4-bis(2-methoxyethoxymethoxy)-5-(trityloxymethyl)oxolan-2-one.
What is the SMILES notation for (3R,4S,5S)-3,4-bis(2-methoxyethoxymethoxy)-5-(trityloxymethyl)oxolan-2-one?
The canonical SMILES for (3R,4S,5S)-3,4-bis(2-methoxyethoxymethoxy)-5-(trityloxymethyl)oxolan-2-one is COCCOCO[C@H]1[C@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)OC(=O)[C@@H]1OCOCCOC.
What is the InChIKey of (3R,4S,5S)-3,4-bis(2-methoxyethoxymethoxy)-5-(trityloxymethyl)oxolan-2-one?
The InChIKey is PDAAQQWFNOGTRH-OIFRRMEBSA-N. The full InChI is InChI=1S/C32H38O9/c1-34-18-20-36-23-38-29-28(41-31(33)30(29)39-24-37-21-19-35-2)22-40-32(25-12-6-3-7-13-25,26-14-8-4-9-15-26)27-16-10-5-11-17-27/h3-17,28-30H,18-24H2,1-2H3/t28-,29-,30+/m0/s1.
What are the key properties of (3R,4S,5S)-3,4-bis(2-methoxyethoxymethoxy)-5-(trityloxymethyl)oxolan-2-one?
(3R,4S,5S)-3,4-bis(2-methoxyethoxymethoxy)-5-(trityloxymethyl)oxolan-2-one has a molecular weight of 566.65 g/mol, XLogP of 3.93, 18 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S,5S)-3,4-bis(2-methoxyethoxymethoxy)-5-(trityloxymethyl)oxolan-2-one is sourced from PubChem (CID 11649844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).