benzyl [(1Z,2R,3R,4R)-2-fluoro-4-hydroxy-1-methoxyimino-5-phenylmethoxycarbonyloxypentan-3-yl] carbonate

C22H24FNO8 — CID 118147363

IUPACbenzyl [(1Z,2R,3R,4R)-2-fluoro-4-hydroxy-1-methoxyimino-5-phenylmethoxycarbonyloxypentan-3-yl] carbonate
SMILESCO/N=C\[C@@H](F)[C@H](OC(=O)OCc1ccccc1)[C@H](O)COC(=O)OCc1ccccc1
InChIInChI=1S/C22H24FNO8/c1-28-24-12-18(23)20(32-22(27)30-14-17-10-6-3-7-11-17)19(25)15-31-21(26)29-13-16-8-4-2-5-9-16/h2-12,18-20,25H,13-15H2,1H3/b24-12-/t18-,19-,20+/m1/s1
InChIKeyZCFYITLUGKAUFT-HRVIIYCQSA-N
MW449.43 g/mol
LogP3.39
Rot. Bonds11

About benzyl [(1Z,2R,3R,4R)-2-fluoro-4-hydroxy-1-methoxyimino-5-phenylmethoxycarbonyloxypentan-3-yl] carbonate

benzyl [(1Z,2R,3R,4R)-2-fluoro-4-hydroxy-1-methoxyimino-5-phenylmethoxycarbonyloxypentan-3-yl] carbonate (PubChem CID 118147363) has the molecular formula C22H24FNO8 and a molecular weight of 449.43 g/mol. Its IUPAC name is benzyl [(1Z,2R,3R,4R)-2-fluoro-4-hydroxy-1-methoxyimino-5-phenylmethoxycarbonyloxypentan-3-yl] carbonate.

Molecular Properties

Compound Namebenzyl [(1Z,2R,3R,4R)-2-fluoro-4-hydroxy-1-methoxyimino-5-phenylmethoxycarbonyloxypentan-3-yl] carbonate
PubChem CID118147363
Molecular FormulaC22H24FNO8
Molecular Weight449.43 g/mol
Exact Mass449.15
IUPAC Namebenzyl [(1Z,2R,3R,4R)-2-fluoro-4-hydroxy-1-methoxyimino-5-phenylmethoxycarbonyloxypentan-3-yl] carbonate
SMILESCO/N=C\[C@@H](F)[C@H](OC(=O)OCc1ccccc1)[C@H](O)COC(=O)OCc1ccccc1
InChIInChI=1S/C22H24FNO8/c1-28-24-12-18(23)20(32-22(27)30-14-17-10-6-3-7-11-17)19(25)15-31-21(26)29-13-16-8-4-2-5-9-16/h2-12,18-20,25H,13-15H2,1H3/b24-12-/t18-,19-,20+/m1/s1
InChIKeyZCFYITLUGKAUFT-HRVIIYCQSA-N
XLogP3.39
TPSA112.88 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.43
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze benzyl [(1Z,2R,3R,4R)-2-fluoro-4-hydroxy-1-methoxyimino-5-phenylmethoxycarbonyloxypentan-3-yl] carbonate with MolForge

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Launch Full Analysis

Related Compounds

[(2R,3R,4R,5E)-1-carboxyoxy-4-fluoro-2-hydroxy-5-methoxyiminopentan-3-yl] hydrogen carbonate
CID 118108815
(2R,3R,4R)-4-fluoro-5-methoxyimino-1,3-bis(phenylmethoxy)pentan-2-ol
CID 131734110
[(2R,3R,4R,5Z)-4-fluoro-2-hydroxy-5-methoxyimino-3-[4-(trifluoromethyl)benzoyl]oxypentyl] 4-(trifluoromethyl)benzoate
CID 118688985
benzyl 1-phenylmethoxycarbonyloxybut-3-en-2-yl carbonate
CID 22891815
benzyl 1,2,2-trifluoroethyl carbonate
CID 70262642
2-amino-3-phenylmethoxycarbonyloxypropanoic acid
CID 67008928
benzyl 1-propan-2-yloxyethyl carbonate
CID 118149586
benzyl 3-hydroxybutyl carbonate
CID 15121666
2-phenylmethoxycarbonyloxybutanoic acid
CID 126720889
benzyl 2-hydroxydodecyl carbonate
CID 139815173
benzyl phenylmethoxycarbonyl carbonate
CID 3649378
benzyl (2R)-2-hydroxy-4,5-dioxopentanoate
CID 163839906

Frequently Asked Questions

What is the IUPAC name of benzyl [(1Z,2R,3R,4R)-2-fluoro-4-hydroxy-1-methoxyimino-5-phenylmethoxycarbonyloxypentan-3-yl] carbonate?
The IUPAC name of benzyl [(1Z,2R,3R,4R)-2-fluoro-4-hydroxy-1-methoxyimino-5-phenylmethoxycarbonyloxypentan-3-yl] carbonate (CID 118147363) is benzyl [(1Z,2R,3R,4R)-2-fluoro-4-hydroxy-1-methoxyimino-5-phenylmethoxycarbonyloxypentan-3-yl] carbonate.
What is the SMILES notation for benzyl [(1Z,2R,3R,4R)-2-fluoro-4-hydroxy-1-methoxyimino-5-phenylmethoxycarbonyloxypentan-3-yl] carbonate?
The canonical SMILES for benzyl [(1Z,2R,3R,4R)-2-fluoro-4-hydroxy-1-methoxyimino-5-phenylmethoxycarbonyloxypentan-3-yl] carbonate is CO/N=C\[C@@H](F)[C@H](OC(=O)OCc1ccccc1)[C@H](O)COC(=O)OCc1ccccc1.
What is the InChIKey of benzyl [(1Z,2R,3R,4R)-2-fluoro-4-hydroxy-1-methoxyimino-5-phenylmethoxycarbonyloxypentan-3-yl] carbonate?
The InChIKey is ZCFYITLUGKAUFT-HRVIIYCQSA-N. The full InChI is InChI=1S/C22H24FNO8/c1-28-24-12-18(23)20(32-22(27)30-14-17-10-6-3-7-11-17)19(25)15-31-21(26)29-13-16-8-4-2-5-9-16/h2-12,18-20,25H,13-15H2,1H3/b24-12-/t18-,19-,20+/m1/s1.
What are the key properties of benzyl [(1Z,2R,3R,4R)-2-fluoro-4-hydroxy-1-methoxyimino-5-phenylmethoxycarbonyloxypentan-3-yl] carbonate?
benzyl [(1Z,2R,3R,4R)-2-fluoro-4-hydroxy-1-methoxyimino-5-phenylmethoxycarbonyloxypentan-3-yl] carbonate has a molecular weight of 449.43 g/mol, XLogP of 3.39, 11 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl [(1Z,2R,3R,4R)-2-fluoro-4-hydroxy-1-methoxyimino-5-phenylmethoxycarbonyloxypentan-3-yl] carbonate is sourced from PubChem (CID 118147363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).