(2R,3S,4S,5Z)-1,3,4-trimethoxy-5-phenylmethoxyiminopentan-2-ol

C15H23NO5 — CID 118336506

IUPAC(2R,3S,4S,5Z)-1,3,4-trimethoxy-5-phenylmethoxyiminopentan-2-ol
SMILESCOC[C@@H](O)[C@H](OC)[C@H](/C=N\OCc1ccccc1)OC
InChIInChI=1S/C15H23NO5/c1-18-11-13(17)15(20-3)14(19-2)9-16-21-10-12-7-5-4-6-8-12/h4-9,13-15,17H,10-11H2,1-3H3/b16-9-/t13-,14+,15+/m1/s1
InChIKeyWDLJQIJYXNTLCA-GWGGVYHWSA-N
MW297.35 g/mol
LogP1.23
Rot. Bonds10

About (2R,3S,4S,5Z)-1,3,4-trimethoxy-5-phenylmethoxyiminopentan-2-ol

(2R,3S,4S,5Z)-1,3,4-trimethoxy-5-phenylmethoxyiminopentan-2-ol (PubChem CID 118336506) has the molecular formula C15H23NO5 and a molecular weight of 297.35 g/mol. Its IUPAC name is (2R,3S,4S,5Z)-1,3,4-trimethoxy-5-phenylmethoxyiminopentan-2-ol.

Molecular Properties

Compound Name(2R,3S,4S,5Z)-1,3,4-trimethoxy-5-phenylmethoxyiminopentan-2-ol
PubChem CID118336506
Molecular FormulaC15H23NO5
Molecular Weight297.35 g/mol
Exact Mass297.16
IUPAC Name(2R,3S,4S,5Z)-1,3,4-trimethoxy-5-phenylmethoxyiminopentan-2-ol
SMILESCOC[C@@H](O)[C@H](OC)[C@H](/C=N\OCc1ccccc1)OC
InChIInChI=1S/C15H23NO5/c1-18-11-13(17)15(20-3)14(19-2)9-16-21-10-12-7-5-4-6-8-12/h4-9,13-15,17H,10-11H2,1-3H3/b16-9-/t13-,14+,15+/m1/s1
InChIKeyWDLJQIJYXNTLCA-GWGGVYHWSA-N
XLogP1.23
TPSA69.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 51.23
H-Bond Donors ≤ 51
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'}

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Related Compounds

(2R,3R,4R,5E)-1,3,4-tris(phenylmethoxy)-5-phenylmethoxyiminopentan-2-ol
CID 10602182
(2R,3R,4R,5E)-5-methoxyimino-1,3,4-tris(phenylmethoxy)pentan-2-ol
CID 118108863
(E)-2-methyl-4-phenyl-N-phenylmethoxybutan-1-imine
CID 134997291
(Z)-N-phenylmethoxy-2,3,4,5-tetrakis(trimethylsilyloxy)hexan-1-imine
CID 91709819
(E)-N-phenylmethoxy-2,3,4-tris(trimethylsilyloxy)butan-1-imine
CID 14767957
(3Z)-1-(tert-butylamino)-3-phenylmethoxyiminopropan-2-ol
CID 100938616
(2R,3R,4R)-4-fluoro-5-methoxyimino-1,3-bis(phenylmethoxy)pentan-2-ol
CID 131734110
ethyl (4E)-2-ethyl-3-hydroxy-4-phenylmethoxyiminobutanoate
CID 177474730
[(2R,3R,4S)-2,3,4-tribenzoyloxy-5-phenylmethoxyiminopentyl] benzoate
CID 131883942
(E)-1-(4-methoxyphenyl)-N-phenylmethoxymethanimine
CID 11499688
1-(2-methoxyphenyl)-N-phenylmethoxymethanimine
CID 75981021
benzyl [(1Z,2R,3R,4R)-2-fluoro-4-hydroxy-1-methoxyimino-5-phenylmethoxycarbonyloxypentan-3-yl] carbonate
CID 118147363

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S,5Z)-1,3,4-trimethoxy-5-phenylmethoxyiminopentan-2-ol?
The IUPAC name of (2R,3S,4S,5Z)-1,3,4-trimethoxy-5-phenylmethoxyiminopentan-2-ol (CID 118336506) is (2R,3S,4S,5Z)-1,3,4-trimethoxy-5-phenylmethoxyiminopentan-2-ol.
What is the SMILES notation for (2R,3S,4S,5Z)-1,3,4-trimethoxy-5-phenylmethoxyiminopentan-2-ol?
The canonical SMILES for (2R,3S,4S,5Z)-1,3,4-trimethoxy-5-phenylmethoxyiminopentan-2-ol is COC[C@@H](O)[C@H](OC)[C@H](/C=N\OCc1ccccc1)OC.
What is the InChIKey of (2R,3S,4S,5Z)-1,3,4-trimethoxy-5-phenylmethoxyiminopentan-2-ol?
The InChIKey is WDLJQIJYXNTLCA-GWGGVYHWSA-N. The full InChI is InChI=1S/C15H23NO5/c1-18-11-13(17)15(20-3)14(19-2)9-16-21-10-12-7-5-4-6-8-12/h4-9,13-15,17H,10-11H2,1-3H3/b16-9-/t13-,14+,15+/m1/s1.
What are the key properties of (2R,3S,4S,5Z)-1,3,4-trimethoxy-5-phenylmethoxyiminopentan-2-ol?
(2R,3S,4S,5Z)-1,3,4-trimethoxy-5-phenylmethoxyiminopentan-2-ol has a molecular weight of 297.35 g/mol, XLogP of 1.23, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S,5Z)-1,3,4-trimethoxy-5-phenylmethoxyiminopentan-2-ol is sourced from PubChem (CID 118336506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).