(2R,3R,4R)-4-fluoro-5-methoxyimino-1,3-bis(phenylmethoxy)pentan-2-ol

C20H24FNO4 — CID 131734110

IUPAC(2R,3R,4R)-4-fluoro-5-methoxyimino-1,3-bis(phenylmethoxy)pentan-2-ol
SMILESCON=C[C@@H](F)[C@H](OCc1ccccc1)[C@H](O)COCc1ccccc1
InChIInChI=1S/C20H24FNO4/c1-24-22-12-18(21)20(26-14-17-10-6-3-7-11-17)19(23)15-25-13-16-8-4-2-5-9-16/h2-12,18-20,23H,13-15H2,1H3/t18-,19-,20+/m1/s1
InChIKeyCFPJKWLBVMUIHG-AQNXPRMDSA-N
MW361.41 g/mol
LogP3.12
Rot. Bonds11

About (2R,3R,4R)-4-fluoro-5-methoxyimino-1,3-bis(phenylmethoxy)pentan-2-ol

(2R,3R,4R)-4-fluoro-5-methoxyimino-1,3-bis(phenylmethoxy)pentan-2-ol (PubChem CID 131734110) has the molecular formula C20H24FNO4 and a molecular weight of 361.41 g/mol. Its IUPAC name is (2R,3R,4R)-4-fluoro-5-methoxyimino-1,3-bis(phenylmethoxy)pentan-2-ol.

Molecular Properties

Compound Name(2R,3R,4R)-4-fluoro-5-methoxyimino-1,3-bis(phenylmethoxy)pentan-2-ol
PubChem CID131734110
Molecular FormulaC20H24FNO4
Molecular Weight361.41 g/mol
Exact Mass361.17
IUPAC Name(2R,3R,4R)-4-fluoro-5-methoxyimino-1,3-bis(phenylmethoxy)pentan-2-ol
SMILESCON=C[C@@H](F)[C@H](OCc1ccccc1)[C@H](O)COCc1ccccc1
InChIInChI=1S/C20H24FNO4/c1-24-22-12-18(21)20(26-14-17-10-6-3-7-11-17)19(23)15-25-13-16-8-4-2-5-9-16/h2-12,18-20,23H,13-15H2,1H3/t18-,19-,20+/m1/s1
InChIKeyCFPJKWLBVMUIHG-AQNXPRMDSA-N
XLogP3.12
TPSA60.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 53.12
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,3R,4S)-1,3-bis[(4-chlorophenyl)methoxy]-4-fluoro-5-methoxyiminopentan-2-ol
CID 118108782
(2R,3R,4R,5E)-5-methoxyimino-1,3,4-tris(phenylmethoxy)pentan-2-ol
CID 118108863
(2R,3R,4R,5R)-1,3,4,6-tetrakis(phenylmethoxy)hexane-2,5-diol
CID 15673926
(2R,3R,4R)-1,3-bis(phenylmethoxy)pentane-2,4-diol
CID 11067059
(2R,3R,4R)-4-fluoro-5-imino-1,3-bis(phenylmethoxy)pentan-2-ol
CID 146406666
(E,2R,3R,4R)-2-fluoro-N-methoxy-3,5-bis(phenylmethoxy)-4-(2,4,5-trichlorophenoxy)pentan-1-imine
CID 118108932
(2R,3R,4R,5E)-1,3,4-tris(phenylmethoxy)-5-phenylmethoxyiminopentan-2-ol
CID 10602182
benzyl [(1Z,2R,3R,4R)-2-fluoro-4-hydroxy-1-methoxyimino-5-phenylmethoxycarbonyloxypentan-3-yl] carbonate
CID 118147363
(E,2R,3S,4S)-4-bromo-2-fluoro-N-methoxy-3,5-bis[(4-methoxyphenyl)methoxy]pentan-1-imine
CID 129299968
(2S,3S,4R)-3,5-bis(phenylmethoxy)pentane-1,2,4-triol
CID 101350837
(2R,3R,4R,5R)-2,5-dihydroxy-3,4,6-tris(phenylmethoxy)hexanal
CID 87261996
(2R,3S,4R,5S)-1,3,4,5-tetrakis(phenylmethoxy)hept-6-en-2-ol
CID 11827633

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R)-4-fluoro-5-methoxyimino-1,3-bis(phenylmethoxy)pentan-2-ol?
The IUPAC name of (2R,3R,4R)-4-fluoro-5-methoxyimino-1,3-bis(phenylmethoxy)pentan-2-ol (CID 131734110) is (2R,3R,4R)-4-fluoro-5-methoxyimino-1,3-bis(phenylmethoxy)pentan-2-ol.
What is the SMILES notation for (2R,3R,4R)-4-fluoro-5-methoxyimino-1,3-bis(phenylmethoxy)pentan-2-ol?
The canonical SMILES for (2R,3R,4R)-4-fluoro-5-methoxyimino-1,3-bis(phenylmethoxy)pentan-2-ol is CON=C[C@@H](F)[C@H](OCc1ccccc1)[C@H](O)COCc1ccccc1.
What is the InChIKey of (2R,3R,4R)-4-fluoro-5-methoxyimino-1,3-bis(phenylmethoxy)pentan-2-ol?
The InChIKey is CFPJKWLBVMUIHG-AQNXPRMDSA-N. The full InChI is InChI=1S/C20H24FNO4/c1-24-22-12-18(21)20(26-14-17-10-6-3-7-11-17)19(23)15-25-13-16-8-4-2-5-9-16/h2-12,18-20,23H,13-15H2,1H3/t18-,19-,20+/m1/s1.
What are the key properties of (2R,3R,4R)-4-fluoro-5-methoxyimino-1,3-bis(phenylmethoxy)pentan-2-ol?
(2R,3R,4R)-4-fluoro-5-methoxyimino-1,3-bis(phenylmethoxy)pentan-2-ol has a molecular weight of 361.41 g/mol, XLogP of 3.12, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R)-4-fluoro-5-methoxyimino-1,3-bis(phenylmethoxy)pentan-2-ol is sourced from PubChem (CID 131734110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).