(3R,4R,5S,6R)-2-methoxy-3-methyl-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane

C29H34O5 — CID 11070609

IUPAC(3R,4R,5S,6R)-2-methoxy-3-methyl-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
SMILESCOC1O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1C
InChIInChI=1S/C29H34O5/c1-22-27(32-19-24-14-8-4-9-15-24)28(33-20-25-16-10-5-11-17-25)26(34-29(22)30-2)21-31-18-23-12-6-3-7-13-23/h3-17,22,26-29H,18-21H2,1-2H3/t22-,26-,27-,28-,29?/m1/s1
InChIKeyRJNUFUTUKDTBEZ-OHXPRBOCSA-N
MW462.59 g/mol
LogP5.38
Rot. Bonds11

About (3R,4R,5S,6R)-2-methoxy-3-methyl-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane

(3R,4R,5S,6R)-2-methoxy-3-methyl-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane (PubChem CID 11070609) has the molecular formula C29H34O5 and a molecular weight of 462.59 g/mol. Its IUPAC name is (3R,4R,5S,6R)-2-methoxy-3-methyl-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane.

Molecular Properties

Compound Name(3R,4R,5S,6R)-2-methoxy-3-methyl-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
PubChem CID11070609
Molecular FormulaC29H34O5
Molecular Weight462.59 g/mol
Exact Mass462.24
IUPAC Name(3R,4R,5S,6R)-2-methoxy-3-methyl-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
SMILESCOC1O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1C
InChIInChI=1S/C29H34O5/c1-22-27(32-19-24-14-8-4-9-15-24)28(33-20-25-16-10-5-11-17-25)26(34-29(22)30-2)21-31-18-23-12-6-3-7-13-23/h3-17,22,26-29H,18-21H2,1-2H3/t22-,26-,27-,28-,29?/m1/s1
InChIKeyRJNUFUTUKDTBEZ-OHXPRBOCSA-N
XLogP5.38
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.59
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3R,4R,5S,6R)-2-methoxy-3-methyl-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane?
The IUPAC name of (3R,4R,5S,6R)-2-methoxy-3-methyl-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane (CID 11070609) is (3R,4R,5S,6R)-2-methoxy-3-methyl-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane.
What is the SMILES notation for (3R,4R,5S,6R)-2-methoxy-3-methyl-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane?
The canonical SMILES for (3R,4R,5S,6R)-2-methoxy-3-methyl-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane is COC1O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1C.
What is the InChIKey of (3R,4R,5S,6R)-2-methoxy-3-methyl-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane?
The InChIKey is RJNUFUTUKDTBEZ-OHXPRBOCSA-N. The full InChI is InChI=1S/C29H34O5/c1-22-27(32-19-24-14-8-4-9-15-24)28(33-20-25-16-10-5-11-17-25)26(34-29(22)30-2)21-31-18-23-12-6-3-7-13-23/h3-17,22,26-29H,18-21H2,1-2H3/t22-,26-,27-,28-,29?/m1/s1.
What are the key properties of (3R,4R,5S,6R)-2-methoxy-3-methyl-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane?
(3R,4R,5S,6R)-2-methoxy-3-methyl-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane has a molecular weight of 462.59 g/mol, XLogP of 5.38, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R,5S,6R)-2-methoxy-3-methyl-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane is sourced from PubChem (CID 11070609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).