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

C33H34O4S — CID 126612117

IUPAC(4R,6S)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-6-phenylsulfanyloxane
SMILESc1ccc(COCC2O[C@@H](Sc3ccccc3)C[C@@H](OCc3ccccc3)C2OCc2ccccc2)cc1
InChIInChI=1S/C33H34O4S/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(37-31)38-29-19-11-4-12-20-29/h1-20,30-33H,21-25H2/t30-,31?,32+,33?/m1/s1
InChIKeyGPFKOEZZNFMLHO-DAZIZQLOSA-N
MW526.70 g/mol
LogP7.28
Rot. Bonds12

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

(4R,6S)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-6-phenylsulfanyloxane (PubChem CID 126612117) has the molecular formula C33H34O4S and a molecular weight of 526.70 g/mol. Its IUPAC name is (4R,6S)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-6-phenylsulfanyloxane.

Molecular Properties

Compound Name(4R,6S)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-6-phenylsulfanyloxane
PubChem CID126612117
Molecular FormulaC33H34O4S
Molecular Weight526.70 g/mol
Exact Mass526.22
IUPAC Name(4R,6S)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-6-phenylsulfanyloxane
SMILESc1ccc(COCC2O[C@@H](Sc3ccccc3)C[C@@H](OCc3ccccc3)C2OCc2ccccc2)cc1
InChIInChI=1S/C33H34O4S/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(37-31)38-29-19-11-4-12-20-29/h1-20,30-33H,21-25H2/t30-,31?,32+,33?/m1/s1
InChIKeyGPFKOEZZNFMLHO-DAZIZQLOSA-N
XLogP7.28
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.70
LogP ≤ 57.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (4R,6S)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-6-phenylsulfanyloxane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-5-phenylsulfanyloxolane
CID 73113637
(2S,3S,4R,5S)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-5-phenylsulfanyloxolane
CID 101410206
(2R,3R,4R,5S)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-5-phenylsulfanyloxolane
CID 10994846
(2R,3R,4R,5R)-3,4-bis(phenylmethoxy)-2,5-bis(phenylmethoxymethyl)oxolane
CID 14020682
(2R,3S,4R)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-6-prop-2-enylsulfanyloxane
CID 11511510
(2R,4R,5S,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane-2-carbaldehyde
CID 53483097
(2S,3R,4S,5S,6S)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-2-phenylsulfanyloxan-3-ol
CID 10721223
(3R,4R,6R)-5-methyl-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-6-phenylsulfanyloxane
CID 91311406
(4R,6S)-6-phenoxy-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxane
CID 126612116
(2R,3S)-5-benzylsulfanyl-3-phenylmethoxy-2-(phenylmethoxymethyl)oxolane
CID 15059956
(2R,3R,4S,5S)-7-methoxy-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)oxepane
CID 58940191
5-[(2S,4R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]sulfanyl-2-methoxy-3,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 126611958

Frequently Asked Questions

What is the IUPAC name of (4R,6S)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-6-phenylsulfanyloxane?
The IUPAC name of (4R,6S)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-6-phenylsulfanyloxane (CID 126612117) is (4R,6S)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-6-phenylsulfanyloxane.
What is the SMILES notation for (4R,6S)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-6-phenylsulfanyloxane?
The canonical SMILES for (4R,6S)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-6-phenylsulfanyloxane is c1ccc(COCC2O[C@@H](Sc3ccccc3)C[C@@H](OCc3ccccc3)C2OCc2ccccc2)cc1.
What is the InChIKey of (4R,6S)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-6-phenylsulfanyloxane?
The InChIKey is GPFKOEZZNFMLHO-DAZIZQLOSA-N. The full InChI is InChI=1S/C33H34O4S/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(37-31)38-29-19-11-4-12-20-29/h1-20,30-33H,21-25H2/t30-,31?,32+,33?/m1/s1.
What are the key properties of (4R,6S)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-6-phenylsulfanyloxane?
(4R,6S)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-6-phenylsulfanyloxane has a molecular weight of 526.70 g/mol, XLogP of 7.28, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,6S)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-6-phenylsulfanyloxane is sourced from PubChem (CID 126612117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).