[(2R,3R,4S,5R,6S)-6-methoxy-3-[(4-methoxyphenyl)methoxy]-4,5-di(tetradecoxy)oxan-2-yl]methanol

C43H78O7 — CID 69040178

IUPAC[(2R,3R,4S,5R,6S)-6-methoxy-3-[(4-methoxyphenyl)methoxy]-4,5-di(tetradecoxy)oxan-2-yl]methanol
SMILESCCCCCCCCCCCCCCO[C@@H]1[C@@H](OCCCCCCCCCCCCCC)[C@@H](OC)O[C@H](CO)[C@H]1OCc1ccc(OC)cc1
InChIInChI=1S/C43H78O7/c1-5-7-9-11-13-15-17-19-21-23-25-27-33-47-41-40(49-36-37-29-31-38(45-3)32-30-37)39(35-44)50-43(46-4)42(41)48-34-28-26-24-22-20-18-16-14-12-10-8-6-2/h29-32,39-44H,5-28,33-36H2,1-4H3/t39-,40-,41+,42-,43+/m1/s1
InChIKeyBSADEWIULHTSOZ-MHUNNFNASA-N
MW707.09 g/mol
LogP11.12
Rot. Bonds34

About [(2R,3R,4S,5R,6S)-6-methoxy-3-[(4-methoxyphenyl)methoxy]-4,5-di(tetradecoxy)oxan-2-yl]methanol

[(2R,3R,4S,5R,6S)-6-methoxy-3-[(4-methoxyphenyl)methoxy]-4,5-di(tetradecoxy)oxan-2-yl]methanol (PubChem CID 69040178) has the molecular formula C43H78O7 and a molecular weight of 707.09 g/mol. Its IUPAC name is [(2R,3R,4S,5R,6S)-6-methoxy-3-[(4-methoxyphenyl)methoxy]-4,5-di(tetradecoxy)oxan-2-yl]methanol.

Molecular Properties

Compound Name[(2R,3R,4S,5R,6S)-6-methoxy-3-[(4-methoxyphenyl)methoxy]-4,5-di(tetradecoxy)oxan-2-yl]methanol
PubChem CID69040178
Molecular FormulaC43H78O7
Molecular Weight707.09 g/mol
Exact Mass706.57
IUPAC Name[(2R,3R,4S,5R,6S)-6-methoxy-3-[(4-methoxyphenyl)methoxy]-4,5-di(tetradecoxy)oxan-2-yl]methanol
SMILESCCCCCCCCCCCCCCO[C@@H]1[C@@H](OCCCCCCCCCCCCCC)[C@@H](OC)O[C@H](CO)[C@H]1OCc1ccc(OC)cc1
InChIInChI=1S/C43H78O7/c1-5-7-9-11-13-15-17-19-21-23-25-27-33-47-41-40(49-36-37-29-31-38(45-3)32-30-37)39(35-44)50-43(46-4)42(41)48-34-28-26-24-22-20-18-16-14-12-10-8-6-2/h29-32,39-44H,5-28,33-36H2,1-4H3/t39-,40-,41+,42-,43+/m1/s1
InChIKeyBSADEWIULHTSOZ-MHUNNFNASA-N
XLogP11.12
TPSA75.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds34
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500707.09
LogP ≤ 511.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[(2R,3R,4S,5R,6R)-6-methoxy-5-[(4-methoxyphenyl)methoxy]-3,4-bis(phenylmethoxy)oxan-2-yl]methanol
CID 101103346
[(2R,3R,4S,5R,6R)-6-methoxy-4,5-bis[(4-methoxyphenyl)methoxy]-3-phenylmethoxyoxan-2-yl]methanol
CID 101181245
[(2R,3S,4R)-3,5-dimethoxy-4-octadecoxyoxolan-2-yl]methanol
CID 22828524
[(2R,3R,4S,5R,6S)-5-[(4-methoxyphenyl)methoxy]-3,4,6-tris(phenylmethoxy)oxan-2-yl]methanol
CID 11365130
(2R,3R,4R,5R)-5-decyl-2-methoxy-4-[(4-methoxyphenyl)methoxy]oxolan-3-ol
CID 100962299
(2R,3R,4S,5R)-5-(hydroxymethyl)-3-methoxy-4-[(4-methoxyphenyl)methoxy]oxolan-2-ol
CID 171122948
[(2R,3R,4S,5R,6S)-3,4,5-tris[(4-chlorophenyl)methoxy]-6-methoxyoxan-2-yl]methanol
CID 11146184
[(2R,3R,4R,5R,6R)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methanol
CID 23245862
[(2R,3R,4R)-5-methoxy-3,4-bis(phenylmethoxy)oxolan-2-yl]methanol
CID 101100529
[(2R,3R,4S,5S)-5-[(2S,3S,4R,5R)-2-methoxy-5-[(4-methoxyphenyl)methoxymethyl]-4-phenylmethoxyoxolan-3-yl]oxy-3,4-bis(phenylmethoxy)oxolan-2-yl]methanol
CID 46895944
[(3R,6S)-6-[[(3R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]-3,4,5-tris(phenylmethoxy)oxan-2-yl]methanol
CID 163470543
(2S,3S,4R,5R)-2-ethyl-5-methoxy-3-[(4-methoxyphenyl)methoxy]-4-prop-2-ynoxyoxolane
CID 53467505

Frequently Asked Questions

What is the IUPAC name of [(2R,3R,4S,5R,6S)-6-methoxy-3-[(4-methoxyphenyl)methoxy]-4,5-di(tetradecoxy)oxan-2-yl]methanol?
The IUPAC name of [(2R,3R,4S,5R,6S)-6-methoxy-3-[(4-methoxyphenyl)methoxy]-4,5-di(tetradecoxy)oxan-2-yl]methanol (CID 69040178) is [(2R,3R,4S,5R,6S)-6-methoxy-3-[(4-methoxyphenyl)methoxy]-4,5-di(tetradecoxy)oxan-2-yl]methanol.
What is the SMILES notation for [(2R,3R,4S,5R,6S)-6-methoxy-3-[(4-methoxyphenyl)methoxy]-4,5-di(tetradecoxy)oxan-2-yl]methanol?
The canonical SMILES for [(2R,3R,4S,5R,6S)-6-methoxy-3-[(4-methoxyphenyl)methoxy]-4,5-di(tetradecoxy)oxan-2-yl]methanol is CCCCCCCCCCCCCCO[C@@H]1[C@@H](OCCCCCCCCCCCCCC)[C@@H](OC)O[C@H](CO)[C@H]1OCc1ccc(OC)cc1.
What is the InChIKey of [(2R,3R,4S,5R,6S)-6-methoxy-3-[(4-methoxyphenyl)methoxy]-4,5-di(tetradecoxy)oxan-2-yl]methanol?
The InChIKey is BSADEWIULHTSOZ-MHUNNFNASA-N. The full InChI is InChI=1S/C43H78O7/c1-5-7-9-11-13-15-17-19-21-23-25-27-33-47-41-40(49-36-37-29-31-38(45-3)32-30-37)39(35-44)50-43(46-4)42(41)48-34-28-26-24-22-20-18-16-14-12-10-8-6-2/h29-32,39-44H,5-28,33-36H2,1-4H3/t39-,40-,41+,42-,43+/m1/s1.
What are the key properties of [(2R,3R,4S,5R,6S)-6-methoxy-3-[(4-methoxyphenyl)methoxy]-4,5-di(tetradecoxy)oxan-2-yl]methanol?
[(2R,3R,4S,5R,6S)-6-methoxy-3-[(4-methoxyphenyl)methoxy]-4,5-di(tetradecoxy)oxan-2-yl]methanol has a molecular weight of 707.09 g/mol, XLogP of 11.12, 34 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R,4S,5R,6S)-6-methoxy-3-[(4-methoxyphenyl)methoxy]-4,5-di(tetradecoxy)oxan-2-yl]methanol is sourced from PubChem (CID 69040178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).