2-(2-hydroxy-5,6-dimethyl-3-phenylmethoxyoxan-4-yl)oxy-5,6-dimethyl-3-phenylmethoxyoxan-4-ol

C28H38O7 — CID 162141077

IUPAC2-(2-hydroxy-5,6-dimethyl-3-phenylmethoxyoxan-4-yl)oxy-5,6-dimethyl-3-phenylmethoxyoxan-4-ol
SMILESCC1OC(OC2C(C)C(C)OC(O)C2OCc2ccccc2)C(OCc2ccccc2)C(O)C1C
InChIInChI=1S/C28H38O7/c1-17-19(3)34-28(25(23(17)29)31-15-21-11-7-5-8-12-21)35-24-18(2)20(4)33-27(30)26(24)32-16-22-13-9-6-10-14-22/h5-14,17-20,23-30H,15-16H2,1-4H3
InChIKeyRGHOVLSXIGSFQO-UHFFFAOYSA-N
MW486.61 g/mol
LogP3.66
Rot. Bonds8

About 2-(2-hydroxy-5,6-dimethyl-3-phenylmethoxyoxan-4-yl)oxy-5,6-dimethyl-3-phenylmethoxyoxan-4-ol

2-(2-hydroxy-5,6-dimethyl-3-phenylmethoxyoxan-4-yl)oxy-5,6-dimethyl-3-phenylmethoxyoxan-4-ol (PubChem CID 162141077) has the molecular formula C28H38O7 and a molecular weight of 486.61 g/mol. Its IUPAC name is 2-(2-hydroxy-5,6-dimethyl-3-phenylmethoxyoxan-4-yl)oxy-5,6-dimethyl-3-phenylmethoxyoxan-4-ol.

Molecular Properties

Compound Name2-(2-hydroxy-5,6-dimethyl-3-phenylmethoxyoxan-4-yl)oxy-5,6-dimethyl-3-phenylmethoxyoxan-4-ol
PubChem CID162141077
Molecular FormulaC28H38O7
Molecular Weight486.61 g/mol
Exact Mass486.26
IUPAC Name2-(2-hydroxy-5,6-dimethyl-3-phenylmethoxyoxan-4-yl)oxy-5,6-dimethyl-3-phenylmethoxyoxan-4-ol
SMILESCC1OC(OC2C(C)C(C)OC(O)C2OCc2ccccc2)C(OCc2ccccc2)C(O)C1C
InChIInChI=1S/C28H38O7/c1-17-19(3)34-28(25(23(17)29)31-15-21-11-7-5-8-12-21)35-24-18(2)20(4)33-27(30)26(24)32-16-22-13-9-6-10-14-22/h5-14,17-20,23-30H,15-16H2,1-4H3
InChIKeyRGHOVLSXIGSFQO-UHFFFAOYSA-N
XLogP3.66
TPSA86.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.61
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-(2-hydroxy-5,6-dimethyl-3-phenylmethoxyoxan-4-yl)oxy-5,6-dimethyl-3-phenylmethoxyoxan-4-ol with MolForge

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Related Compounds

6-(4,5-dihydroxy-2-methoxy-6-methyloxan-3-yl)oxy-2-methyl-5-phenylmethoxyoxane-3,4-diol
CID 163040985
(2R,3S,4S,5R,6R)-2-methyl-3,5,6-tris(phenylmethoxy)oxan-4-ol
CID 11080578
(2R,3R,4S,5R,6S)-2-methoxy-6-methyl-5-phenylmethoxyoxane-3,4-diol
CID 1284354
(2S,3S,4R,5S)-3,4,5-tris(phenylmethoxy)oxolan-2-ol
CID 97267896
(2S,4R,5S)-2,3-dimethyl-5-phenylmethoxy-6-(phenylmethoxymethyl)oxan-4-ol
CID 91212823
[(3S,4S,6S)-4,5-diacetyloxy-6-[(2R,4S,5S)-3-acetyloxy-2-hydroxy-6-methyl-5-phenylmethoxyoxan-4-yl]oxy-2-methyloxan-3-yl] acetate
CID 91280721
[(4S,5S)-4-[(2S,4R,5S)-3,6-dimethyl-4,5-bis(phenylmethoxy)oxan-2-yl]oxy-2-hydroxy-6-methyl-5-phenylmethoxyoxan-3-yl] acetate
CID 70841927
(2R,3R,6R)-2-methyl-5-phenylmethoxy-6-prop-2-enoxyoxane-3,4-diol
CID 170516720
(2S,3S,5S)-2,6-dimethyl-4-phenylmethoxyoxane-3,5-diol
CID 167585367
(4R,5S)-3,6-dimethyl-5-phenylmethoxy-4-[(2S,5R,6S)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-2-ol;(2S,4R,5S)-2,3,6-trimethyl-5-phenylmethoxy-4-[(2S,5R,6S)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxane;(4R,5S)-2,3,6-trimethyl-5-phenylmethoxy-4-[(2S,5R,6S)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxane
CID 161176282
[(3S,4R,5R,6S)-2-hydroxy-6-methyl-3,5-bis(phenylmethoxy)oxan-4-yl] acetate
CID 14505002
6-methyl-2-[6-methyl-2,4,5-tris(phenylmethoxy)oxan-3-yl]oxy-5-[6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxy-4-phenylmethoxyoxan-3-ol
CID 163088861

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxy-5,6-dimethyl-3-phenylmethoxyoxan-4-yl)oxy-5,6-dimethyl-3-phenylmethoxyoxan-4-ol?
The IUPAC name of 2-(2-hydroxy-5,6-dimethyl-3-phenylmethoxyoxan-4-yl)oxy-5,6-dimethyl-3-phenylmethoxyoxan-4-ol (CID 162141077) is 2-(2-hydroxy-5,6-dimethyl-3-phenylmethoxyoxan-4-yl)oxy-5,6-dimethyl-3-phenylmethoxyoxan-4-ol.
What is the SMILES notation for 2-(2-hydroxy-5,6-dimethyl-3-phenylmethoxyoxan-4-yl)oxy-5,6-dimethyl-3-phenylmethoxyoxan-4-ol?
The canonical SMILES for 2-(2-hydroxy-5,6-dimethyl-3-phenylmethoxyoxan-4-yl)oxy-5,6-dimethyl-3-phenylmethoxyoxan-4-ol is CC1OC(OC2C(C)C(C)OC(O)C2OCc2ccccc2)C(OCc2ccccc2)C(O)C1C.
What is the InChIKey of 2-(2-hydroxy-5,6-dimethyl-3-phenylmethoxyoxan-4-yl)oxy-5,6-dimethyl-3-phenylmethoxyoxan-4-ol?
The InChIKey is RGHOVLSXIGSFQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H38O7/c1-17-19(3)34-28(25(23(17)29)31-15-21-11-7-5-8-12-21)35-24-18(2)20(4)33-27(30)26(24)32-16-22-13-9-6-10-14-22/h5-14,17-20,23-30H,15-16H2,1-4H3.
What are the key properties of 2-(2-hydroxy-5,6-dimethyl-3-phenylmethoxyoxan-4-yl)oxy-5,6-dimethyl-3-phenylmethoxyoxan-4-ol?
2-(2-hydroxy-5,6-dimethyl-3-phenylmethoxyoxan-4-yl)oxy-5,6-dimethyl-3-phenylmethoxyoxan-4-ol has a molecular weight of 486.61 g/mol, XLogP of 3.66, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxy-5,6-dimethyl-3-phenylmethoxyoxan-4-yl)oxy-5,6-dimethyl-3-phenylmethoxyoxan-4-ol is sourced from PubChem (CID 162141077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).