1-[6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]-N-methylmethanimine oxide

C29H33NO6 — CID 135077925

IUPAC1-[6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]-N-methylmethanimine oxide
SMILESCOC1OC(/C=[N+](/C)[O-])C(OCc2ccccc2)C(OCc2ccccc2)C1OCc1ccccc1
InChIInChI=1S/C29H33NO6/c1-30(31)18-25-26(33-19-22-12-6-3-7-13-22)27(34-20-23-14-8-4-9-15-23)28(29(32-2)36-25)35-21-24-16-10-5-11-17-24/h3-18,25-29H,19-21H2,1-2H3/b30-18-
InChIKeyRJPWZCLAWURFOT-YKQZZPSBSA-N
MW491.58 g/mol
LogP4.32
Rot. Bonds11

About 1-[6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]-N-methylmethanimine oxide

1-[6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]-N-methylmethanimine oxide (PubChem CID 135077925) has the molecular formula C29H33NO6 and a molecular weight of 491.58 g/mol. Its IUPAC name is 1-[6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]-N-methylmethanimine oxide.

Molecular Properties

Compound Name1-[6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]-N-methylmethanimine oxide
PubChem CID135077925
Molecular FormulaC29H33NO6
Molecular Weight491.58 g/mol
Exact Mass491.23
IUPAC Name1-[6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]-N-methylmethanimine oxide
SMILESCOC1OC(/C=[N+](/C)[O-])C(OCc2ccccc2)C(OCc2ccccc2)C1OCc1ccccc1
InChIInChI=1S/C29H33NO6/c1-30(31)18-25-26(33-19-22-12-6-3-7-13-22)27(34-20-23-14-8-4-9-15-23)28(29(32-2)36-25)35-21-24-16-10-5-11-17-24/h3-18,25-29H,19-21H2,1-2H3/b30-18-
InChIKeyRJPWZCLAWURFOT-YKQZZPSBSA-N
XLogP4.32
TPSA72.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.58
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

[(2R,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-[(Z)-[(2R,3R)-2,4-dimethyl-3-phenylmethoxypentylidene]amino]oxyoxan-2-yl]methyl acetate
CID 16758489
(2S,3R,4S,5R,6R)-2-methoxy-6-(methoxymethyl)-3,4,5-tris(phenylmethoxy)oxane
CID 68654071
[(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-[(E)-[(2R,3R)-2,4-dimethyl-3-phenylmethoxypentylidene]amino]oxyoxan-2-yl]methyl acetate
CID 9556104
[(Z)-3-[(2R,3R,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]prop-2-enyl] 2,2,2-trifluoroethanimidate
CID 134831713
methyl 2,3,4-tri-O-benzyl-6-deoxy-alpha-d-glucopyranoside
CID 10503640
2-Ethyl-6-methoxy-3,4,5-tris(phenylmethoxy)oxane
CID 23541139
(3R,4R,6S)-6-methoxy-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxane
CID 130468150
[3,4,5-Triacetyloxy-6-[(2,4-dimethyl-3-phenylmethoxypentylidene)amino]oxyoxan-2-yl]methyl acetate
CID 73324463
(Z,2S,4R,5R,6S)-5-fluoro-N-methoxy-2-methyl-4,6-bis(phenylmethoxy)oxan-3-imine
CID 88218218
(E)-5-fluoro-N-methoxy-2-methyl-4,6-bis(phenylmethoxy)oxan-3-imine
CID 140418018
(2S,4R,5R,6S)-5-fluoro-N-methoxy-2-methyl-4,6-bis(phenylmethoxy)oxan-3-imine
CID 140418019
(E)-2,2-difluoro-N-phenylmethoxy-2-[(2R,3R,4S,5S,6R)-2,3,4,5-tetrakis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]ethanimine
CID 167169416

Frequently Asked Questions

What is the IUPAC name of 1-[6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]-N-methylmethanimine oxide?
The IUPAC name of 1-[6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]-N-methylmethanimine oxide (CID 135077925) is 1-[6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]-N-methylmethanimine oxide.
What is the SMILES notation for 1-[6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]-N-methylmethanimine oxide?
The canonical SMILES for 1-[6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]-N-methylmethanimine oxide is COC1OC(/C=[N+](/C)[O-])C(OCc2ccccc2)C(OCc2ccccc2)C1OCc1ccccc1.
What is the InChIKey of 1-[6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]-N-methylmethanimine oxide?
The InChIKey is RJPWZCLAWURFOT-YKQZZPSBSA-N. The full InChI is InChI=1S/C29H33NO6/c1-30(31)18-25-26(33-19-22-12-6-3-7-13-22)27(34-20-23-14-8-4-9-15-23)28(29(32-2)36-25)35-21-24-16-10-5-11-17-24/h3-18,25-29H,19-21H2,1-2H3/b30-18-.
What are the key properties of 1-[6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]-N-methylmethanimine oxide?
1-[6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]-N-methylmethanimine oxide has a molecular weight of 491.58 g/mol, XLogP of 4.32, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]-N-methylmethanimine oxide is sourced from PubChem (CID 135077925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).