(4R,6S)-6-phenoxy-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxane

C33H34O5 — CID 126612116

IUPAC(4R,6S)-6-phenoxy-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxane
SMILESc1ccc(COCC2O[C@@H](Oc3ccccc3)C[C@@H](OCc3ccccc3)C2OCc2ccccc2)cc1
InChIInChI=1S/C33H34O5/c1-5-13-26(14-6-1)22-34-25-31-33(36-24-28-17-9-3-10-18-28)30(35-23-27-15-7-2-8-16-27)21-32(38-31)37-29-19-11-4-12-20-29/h1-20,30-33H,21-25H2/t30-,31?,32-,33?/m1/s1
InChIKeyNAQUOHOLVPZXRA-NCWORNCQSA-N
MW510.63 g/mol
LogP6.57
Rot. Bonds12

About (4R,6S)-6-phenoxy-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxane

(4R,6S)-6-phenoxy-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxane (PubChem CID 126612116) has the molecular formula C33H34O5 and a molecular weight of 510.63 g/mol. Its IUPAC name is (4R,6S)-6-phenoxy-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxane.

Molecular Properties

Compound Name(4R,6S)-6-phenoxy-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxane
PubChem CID126612116
Molecular FormulaC33H34O5
Molecular Weight510.63 g/mol
Exact Mass510.24
IUPAC Name(4R,6S)-6-phenoxy-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxane
SMILESc1ccc(COCC2O[C@@H](Oc3ccccc3)C[C@@H](OCc3ccccc3)C2OCc2ccccc2)cc1
InChIInChI=1S/C33H34O5/c1-5-13-26(14-6-1)22-34-25-31-33(36-24-28-17-9-3-10-18-28)30(35-23-27-15-7-2-8-16-27)21-32(38-31)37-29-19-11-4-12-20-29/h1-20,30-33H,21-25H2/t30-,31?,32-,33?/m1/s1
InChIKeyNAQUOHOLVPZXRA-NCWORNCQSA-N
XLogP6.57
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.63
LogP ≤ 56.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2R,3R,4S,5S)-7-methoxy-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)oxepane
CID 58940191
(2R,3R,4R,5R)-3,4-bis(phenylmethoxy)-2,5-bis(phenylmethoxymethyl)oxolane
CID 14020682
(2R,4R,5S,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane-2-carbaldehyde
CID 53483097
7-[(2R,4R,5S,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-2-phenyl-2,3-dihydrochromen-4-one
CID 11614427
(4R,6S)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-6-phenylsulfanyloxane
CID 126612117
[4-[4-hydroxy-5-phenylmethoxy-6-(phenylmethoxymethyl)oxan-2-yl]oxyphenyl] benzoate
CID 142291509
(2R,4S,5S,6R)-3-deuterio-2-methoxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 10456375
(2R,3R,4R,6R)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-6-prop-2-enyloxane
CID 132544102
(2R,3S,4R)-6-pentoxy-2-(pentoxymethyl)-3,4-bis(phenylmethoxy)oxane
CID 121434659
(1S,3R,4R,5R,6R)-4,5-bis(phenylmethoxy)-3-(phenylmethoxymethyl)-2-oxabicyclo[4.1.0]heptane
CID 15318553
[(4R,5S,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]-bromo-triphenyl-λ5-phosphane
CID 134978334
(2R,3R,4R,5S)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-ol
CID 12933787

Frequently Asked Questions

What is the IUPAC name of (4R,6S)-6-phenoxy-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxane?
The IUPAC name of (4R,6S)-6-phenoxy-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxane (CID 126612116) is (4R,6S)-6-phenoxy-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxane.
What is the SMILES notation for (4R,6S)-6-phenoxy-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxane?
The canonical SMILES for (4R,6S)-6-phenoxy-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxane is c1ccc(COCC2O[C@@H](Oc3ccccc3)C[C@@H](OCc3ccccc3)C2OCc2ccccc2)cc1.
What is the InChIKey of (4R,6S)-6-phenoxy-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxane?
The InChIKey is NAQUOHOLVPZXRA-NCWORNCQSA-N. The full InChI is InChI=1S/C33H34O5/c1-5-13-26(14-6-1)22-34-25-31-33(36-24-28-17-9-3-10-18-28)30(35-23-27-15-7-2-8-16-27)21-32(38-31)37-29-19-11-4-12-20-29/h1-20,30-33H,21-25H2/t30-,31?,32-,33?/m1/s1.
What are the key properties of (4R,6S)-6-phenoxy-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxane?
(4R,6S)-6-phenoxy-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxane has a molecular weight of 510.63 g/mol, XLogP of 6.57, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,6S)-6-phenoxy-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxane is sourced from PubChem (CID 126612116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).