(2R,4R,5S)-5-[(2S,5S)-5,6-dimethyl-3-phenylmethoxyoxan-2-yl]oxy-3,4-dimethyl-2-phenylmethoxy-6-(phenylmethoxymethyl)oxane

C36H46O6 — CID 174093632

IUPAC(2R,4R,5S)-5-[(2S,5S)-5,6-dimethyl-3-phenylmethoxyoxan-2-yl]oxy-3,4-dimethyl-2-phenylmethoxy-6-(phenylmethoxymethyl)oxane
SMILESCC1[C@H](OCc2ccccc2)OC(COCc2ccccc2)[C@@H](O[C@@H]2OC(C)[C@@H](C)CC2OCc2ccccc2)[C@@H]1C
InChIInChI=1S/C36H46O6/c1-25-20-32(38-22-30-16-10-6-11-17-30)36(40-28(25)4)42-34-26(2)27(3)35(39-23-31-18-12-7-13-19-31)41-33(34)24-37-21-29-14-8-5-9-15-29/h5-19,25-28,32-36H,20-24H2,1-4H3/t25-,26+,27?,28?,32?,33?,34-,35+,36-/m0/s1
InChIKeyVVNYKHYSGCKXRQ-VZWJCMCOSA-N
MW574.76 g/mol
LogP7.16
Rot. Bonds12

About (2R,4R,5S)-5-[(2S,5S)-5,6-dimethyl-3-phenylmethoxyoxan-2-yl]oxy-3,4-dimethyl-2-phenylmethoxy-6-(phenylmethoxymethyl)oxane

(2R,4R,5S)-5-[(2S,5S)-5,6-dimethyl-3-phenylmethoxyoxan-2-yl]oxy-3,4-dimethyl-2-phenylmethoxy-6-(phenylmethoxymethyl)oxane (PubChem CID 174093632) has the molecular formula C36H46O6 and a molecular weight of 574.76 g/mol. Its IUPAC name is (2R,4R,5S)-5-[(2S,5S)-5,6-dimethyl-3-phenylmethoxyoxan-2-yl]oxy-3,4-dimethyl-2-phenylmethoxy-6-(phenylmethoxymethyl)oxane.

Molecular Properties

Compound Name(2R,4R,5S)-5-[(2S,5S)-5,6-dimethyl-3-phenylmethoxyoxan-2-yl]oxy-3,4-dimethyl-2-phenylmethoxy-6-(phenylmethoxymethyl)oxane
PubChem CID174093632
Molecular FormulaC36H46O6
Molecular Weight574.76 g/mol
Exact Mass574.33
IUPAC Name(2R,4R,5S)-5-[(2S,5S)-5,6-dimethyl-3-phenylmethoxyoxan-2-yl]oxy-3,4-dimethyl-2-phenylmethoxy-6-(phenylmethoxymethyl)oxane
SMILESCC1[C@H](OCc2ccccc2)OC(COCc2ccccc2)[C@@H](O[C@@H]2OC(C)[C@@H](C)CC2OCc2ccccc2)[C@@H]1C
InChIInChI=1S/C36H46O6/c1-25-20-32(38-22-30-16-10-6-11-17-30)36(40-28(25)4)42-34-26(2)27(3)35(39-23-31-18-12-7-13-19-31)41-33(34)24-37-21-29-14-8-5-9-15-29/h5-19,25-28,32-36H,20-24H2,1-4H3/t25-,26+,27?,28?,32?,33?,34-,35+,36-/m0/s1
InChIKeyVVNYKHYSGCKXRQ-VZWJCMCOSA-N
XLogP7.16
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.76
LogP ≤ 57.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (2R,4R,5S)-5-[(2S,5S)-5,6-dimethyl-3-phenylmethoxyoxan-2-yl]oxy-3,4-dimethyl-2-phenylmethoxy-6-(phenylmethoxymethyl)oxane 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

(2R,3S,5R)-2-methyl-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-3-[(2R,3S,5R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxane
CID 158301816
(3S,4R,5R,6R)-2-methyl-3,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-5-[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxane
CID 167040761
(2R,3R,4S,5R,6R)-2-methoxy-3-[(2R,3S,4R,5R,6S)-6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 101143250
2,4,5-trimethyl-3-phenylmethoxy-6-(phenylmethoxymethyl)oxane
CID 71099139
(2S,3S,4S,5R,6R)-2,3,4,5-tetrakis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 66864680
(2S,4S,5S)-2-methyl-3,4,5-tris(phenylmethoxy)-6-[[(2R,4S,5S)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxymethyl]oxane
CID 146032483
(3S,5S)-3,6-dimethyl-4-[(2S,5S)-3-methyl-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-5-phenylmethoxyoxan-2-ol
CID 59491253
(2R,3R,4R,5R)-3,4-bis(phenylmethoxy)-2,5-bis(phenylmethoxymethyl)oxolane
CID 14020682
(3R,4R,5S,6S)-4-[(2S,3R,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]oxy-6-methyl-3,5-bis(phenylmethoxy)oxan-2-ol
CID 11787527
2,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)-3-[3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxane
CID 3665979
(2R,3S,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)-6-[(2R,3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxane
CID 56651177
(2S,3S,4R,5R,6R)-4-[(2S,3R,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]oxy-2-methyl-3,5-bis(phenylmethoxy)-6-prop-2-enoxyoxane
CID 11479816

Frequently Asked Questions

What is the IUPAC name of (2R,4R,5S)-5-[(2S,5S)-5,6-dimethyl-3-phenylmethoxyoxan-2-yl]oxy-3,4-dimethyl-2-phenylmethoxy-6-(phenylmethoxymethyl)oxane?
The IUPAC name of (2R,4R,5S)-5-[(2S,5S)-5,6-dimethyl-3-phenylmethoxyoxan-2-yl]oxy-3,4-dimethyl-2-phenylmethoxy-6-(phenylmethoxymethyl)oxane (CID 174093632) is (2R,4R,5S)-5-[(2S,5S)-5,6-dimethyl-3-phenylmethoxyoxan-2-yl]oxy-3,4-dimethyl-2-phenylmethoxy-6-(phenylmethoxymethyl)oxane.
What is the SMILES notation for (2R,4R,5S)-5-[(2S,5S)-5,6-dimethyl-3-phenylmethoxyoxan-2-yl]oxy-3,4-dimethyl-2-phenylmethoxy-6-(phenylmethoxymethyl)oxane?
The canonical SMILES for (2R,4R,5S)-5-[(2S,5S)-5,6-dimethyl-3-phenylmethoxyoxan-2-yl]oxy-3,4-dimethyl-2-phenylmethoxy-6-(phenylmethoxymethyl)oxane is CC1[C@H](OCc2ccccc2)OC(COCc2ccccc2)[C@@H](O[C@@H]2OC(C)[C@@H](C)CC2OCc2ccccc2)[C@@H]1C.
What is the InChIKey of (2R,4R,5S)-5-[(2S,5S)-5,6-dimethyl-3-phenylmethoxyoxan-2-yl]oxy-3,4-dimethyl-2-phenylmethoxy-6-(phenylmethoxymethyl)oxane?
The InChIKey is VVNYKHYSGCKXRQ-VZWJCMCOSA-N. The full InChI is InChI=1S/C36H46O6/c1-25-20-32(38-22-30-16-10-6-11-17-30)36(40-28(25)4)42-34-26(2)27(3)35(39-23-31-18-12-7-13-19-31)41-33(34)24-37-21-29-14-8-5-9-15-29/h5-19,25-28,32-36H,20-24H2,1-4H3/t25-,26+,27?,28?,32?,33?,34-,35+,36-/m0/s1.
What are the key properties of (2R,4R,5S)-5-[(2S,5S)-5,6-dimethyl-3-phenylmethoxyoxan-2-yl]oxy-3,4-dimethyl-2-phenylmethoxy-6-(phenylmethoxymethyl)oxane?
(2R,4R,5S)-5-[(2S,5S)-5,6-dimethyl-3-phenylmethoxyoxan-2-yl]oxy-3,4-dimethyl-2-phenylmethoxy-6-(phenylmethoxymethyl)oxane has a molecular weight of 574.76 g/mol, XLogP of 7.16, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R,5S)-5-[(2S,5S)-5,6-dimethyl-3-phenylmethoxyoxan-2-yl]oxy-3,4-dimethyl-2-phenylmethoxy-6-(phenylmethoxymethyl)oxane is sourced from PubChem (CID 174093632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).