(3R,4R,5R)-2-methoxy-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolane

C27H30O5 — CID 11015594

IUPAC(3R,4R,5R)-2-methoxy-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolane
SMILESCOC1O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@H]1OCc1ccccc1
InChIInChI=1S/C27H30O5/c1-28-27-26(31-19-23-15-9-4-10-16-23)25(30-18-22-13-7-3-8-14-22)24(32-27)20-29-17-21-11-5-2-6-12-21/h2-16,24-27H,17-20H2,1H3/t24-,25-,26-,27?/m1/s1
InChIKeyDJVKHGGGJZLGII-YGENNMJRSA-N
MW434.53 g/mol
LogP4.75
Rot. Bonds11

About (3R,4R,5R)-2-methoxy-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolane

(3R,4R,5R)-2-methoxy-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolane (PubChem CID 11015594) has the molecular formula C27H30O5 and a molecular weight of 434.53 g/mol. Its IUPAC name is (3R,4R,5R)-2-methoxy-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolane.

Molecular Properties

Compound Name(3R,4R,5R)-2-methoxy-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolane
PubChem CID11015594
Molecular FormulaC27H30O5
Molecular Weight434.53 g/mol
Exact Mass434.21
IUPAC Name(3R,4R,5R)-2-methoxy-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolane
SMILESCOC1O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@H]1OCc1ccccc1
InChIInChI=1S/C27H30O5/c1-28-27-26(31-19-23-15-9-4-10-16-23)25(30-18-22-13-7-3-8-14-22)24(32-27)20-29-17-21-11-5-2-6-12-21/h2-16,24-27H,17-20H2,1H3/t24-,25-,26-,27?/m1/s1
InChIKeyDJVKHGGGJZLGII-YGENNMJRSA-N
XLogP4.75
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.53
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3R,4R,5R)-2-methoxy-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolane?
The IUPAC name of (3R,4R,5R)-2-methoxy-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolane (CID 11015594) is (3R,4R,5R)-2-methoxy-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolane.
What is the SMILES notation for (3R,4R,5R)-2-methoxy-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolane?
The canonical SMILES for (3R,4R,5R)-2-methoxy-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolane is COC1O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@H]1OCc1ccccc1.
What is the InChIKey of (3R,4R,5R)-2-methoxy-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolane?
The InChIKey is DJVKHGGGJZLGII-YGENNMJRSA-N. The full InChI is InChI=1S/C27H30O5/c1-28-27-26(31-19-23-15-9-4-10-16-23)25(30-18-22-13-7-3-8-14-22)24(32-27)20-29-17-21-11-5-2-6-12-21/h2-16,24-27H,17-20H2,1H3/t24-,25-,26-,27?/m1/s1.
What are the key properties of (3R,4R,5R)-2-methoxy-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolane?
(3R,4R,5R)-2-methoxy-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolane has a molecular weight of 434.53 g/mol, XLogP of 4.75, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R,5R)-2-methoxy-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolane is sourced from PubChem (CID 11015594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).