(2S,3S,4E,6S)-6-methoxy-2-methyl-4-phenylmethoxyiminooxan-3-ol

C14H19NO4 — CID 11054569

IUPAC(2S,3S,4E,6S)-6-methoxy-2-methyl-4-phenylmethoxyiminooxan-3-ol
SMILESCO[C@@H]1C/C(=N\OCc2ccccc2)[C@H](O)[C@H](C)O1
InChIInChI=1S/C14H19NO4/c1-10-14(16)12(8-13(17-2)19-10)15-18-9-11-6-4-3-5-7-11/h3-7,10,13-14,16H,8-9H2,1-2H3/b15-12+/t10-,13-,14+/m0/s1
InChIKeyGEHMPPHHODTFJU-WFHMKTEYSA-N
MW265.31 g/mol
LogP1.70
Rot. Bonds4

About (2S,3S,4E,6S)-6-methoxy-2-methyl-4-phenylmethoxyiminooxan-3-ol

(2S,3S,4E,6S)-6-methoxy-2-methyl-4-phenylmethoxyiminooxan-3-ol (PubChem CID 11054569) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is (2S,3S,4E,6S)-6-methoxy-2-methyl-4-phenylmethoxyiminooxan-3-ol.

Molecular Properties

Compound Name(2S,3S,4E,6S)-6-methoxy-2-methyl-4-phenylmethoxyiminooxan-3-ol
PubChem CID11054569
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name(2S,3S,4E,6S)-6-methoxy-2-methyl-4-phenylmethoxyiminooxan-3-ol
SMILESCO[C@@H]1C/C(=N\OCc2ccccc2)[C@H](O)[C@H](C)O1
InChIInChI=1S/C14H19NO4/c1-10-14(16)12(8-13(17-2)19-10)15-18-9-11-6-4-3-5-7-11/h3-7,10,13-14,16H,8-9H2,1-2H3/b15-12+/t10-,13-,14+/m0/s1
InChIKeyGEHMPPHHODTFJU-WFHMKTEYSA-N
XLogP1.70
TPSA60.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2R,3S,4R,6S)-2-methyl-3,6-bis(phenylmethoxy)oxan-4-ol
CID 14466621
(2S,3S,5S)-2,6-dimethyl-4-phenylmethoxyoxane-3,5-diol
CID 167585367
(2R,3R,4S,5R,6S)-2-methoxy-6-methyl-5-phenylmethoxyoxane-3,4-diol
CID 1284354
(2S,3R,4S,5S,6S)-2-methoxy-6-methyl-4,5-bis(phenylmethoxy)oxan-3-ol
CID 10808327
(2R,3R,4R,6S)-6-[(2R,3R,4R,6S)-6-[(2R,3R,4R,6S)-6-methoxy-2-methyl-4-phenylmethoxyoxan-3-yl]oxy-2-methyl-4-phenylmethoxyoxan-3-yl]oxy-2-methyl-4-phenylmethoxyoxan-3-ol
CID 102276288
(2R,3R,4R,5S,6S)-3-fluoro-2-methoxy-6-methyl-5-phenylmethoxyoxan-4-ol
CID 14052144
(2R,3R,5S)-5-methoxy-2-(phenylmethoxymethyl)oxolan-3-ol
CID 10977493
(E)-3-methyl-2,6-diphenyl-N-phenylmethoxypiperidin-4-imine
CID 45272940
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
(2S,3R,4S,5S,6S)-2-methoxy-3,6-dimethyl-4,5-bis(phenylmethoxy)oxane
CID 101084326
(2R,3R,4R,5S,6S)-2,4,5-trimethoxy-6-methyl-3-phenylmethoxyoxane
CID 11500331

Frequently Asked Questions

What is the IUPAC name of (2S,3S,4E,6S)-6-methoxy-2-methyl-4-phenylmethoxyiminooxan-3-ol?
The IUPAC name of (2S,3S,4E,6S)-6-methoxy-2-methyl-4-phenylmethoxyiminooxan-3-ol (CID 11054569) is (2S,3S,4E,6S)-6-methoxy-2-methyl-4-phenylmethoxyiminooxan-3-ol.
What is the SMILES notation for (2S,3S,4E,6S)-6-methoxy-2-methyl-4-phenylmethoxyiminooxan-3-ol?
The canonical SMILES for (2S,3S,4E,6S)-6-methoxy-2-methyl-4-phenylmethoxyiminooxan-3-ol is CO[C@@H]1C/C(=N\OCc2ccccc2)[C@H](O)[C@H](C)O1.
What is the InChIKey of (2S,3S,4E,6S)-6-methoxy-2-methyl-4-phenylmethoxyiminooxan-3-ol?
The InChIKey is GEHMPPHHODTFJU-WFHMKTEYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-10-14(16)12(8-13(17-2)19-10)15-18-9-11-6-4-3-5-7-11/h3-7,10,13-14,16H,8-9H2,1-2H3/b15-12+/t10-,13-,14+/m0/s1.
What are the key properties of (2S,3S,4E,6S)-6-methoxy-2-methyl-4-phenylmethoxyiminooxan-3-ol?
(2S,3S,4E,6S)-6-methoxy-2-methyl-4-phenylmethoxyiminooxan-3-ol has a molecular weight of 265.31 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4E,6S)-6-methoxy-2-methyl-4-phenylmethoxyiminooxan-3-ol is sourced from PubChem (CID 11054569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).