(2R)-2-benzyl-1-(furan-2-yl)-3,4,5-trihydroxy-2-methylperoxypentan-1-one

C17H20O7 — CID 174566451

IUPAC(2R)-2-benzyl-1-(furan-2-yl)-3,4,5-trihydroxy-2-methylperoxypentan-1-one
SMILESCOO[C@@](Cc1ccccc1)(C(=O)c1ccco1)C(O)C(O)CO
InChIInChI=1S/C17H20O7/c1-22-24-17(15(20)13(19)11-18,10-12-6-3-2-4-7-12)16(21)14-8-5-9-23-14/h2-9,13,15,18-20H,10-11H2,1H3/t13?,15?,17-/m1/s1
InChIKeyXZWAPMZJCJFJCM-PUJMQQBBSA-N
MW336.34 g/mol
LogP0.74
Rot. Bonds9

About (2R)-2-benzyl-1-(furan-2-yl)-3,4,5-trihydroxy-2-methylperoxypentan-1-one

(2R)-2-benzyl-1-(furan-2-yl)-3,4,5-trihydroxy-2-methylperoxypentan-1-one (PubChem CID 174566451) has the molecular formula C17H20O7 and a molecular weight of 336.34 g/mol. Its IUPAC name is (2R)-2-benzyl-1-(furan-2-yl)-3,4,5-trihydroxy-2-methylperoxypentan-1-one.

Molecular Properties

Compound Name(2R)-2-benzyl-1-(furan-2-yl)-3,4,5-trihydroxy-2-methylperoxypentan-1-one
PubChem CID174566451
Molecular FormulaC17H20O7
Molecular Weight336.34 g/mol
Exact Mass336.12
IUPAC Name(2R)-2-benzyl-1-(furan-2-yl)-3,4,5-trihydroxy-2-methylperoxypentan-1-one
SMILESCOO[C@@](Cc1ccccc1)(C(=O)c1ccco1)C(O)C(O)CO
InChIInChI=1S/C17H20O7/c1-22-24-17(15(20)13(19)11-18,10-12-6-3-2-4-7-12)16(21)14-8-5-9-23-14/h2-9,13,15,18-20H,10-11H2,1H3/t13?,15?,17-/m1/s1
InChIKeyXZWAPMZJCJFJCM-PUJMQQBBSA-N
XLogP0.74
TPSA109.36 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.34
LogP ≤ 50.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze (2R)-2-benzyl-1-(furan-2-yl)-3,4,5-trihydroxy-2-methylperoxypentan-1-one with MolForge

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Launch Full Analysis

Related Compounds

2,2-dimethylpropylbenzene;1-(furan-2-yl)-2,2-dimethylpropan-1-one;2-methoxy-2-methylpropane
CID 162078681
(3S,4R,5R)-3-benzyl-4,5,6-trihydroxy-1-phenyl-3-phenylmethoxyhexan-2-one
CID 67076522
(3R)-2,2-difluoro-1-(furan-2-yl)-3-hydroxy-3-phenylpropan-1-one
CID 134965729
(2R,3R,4R,5R)-1-(furan-2-yl)-2,3,4,5,6-pentahydroxyhexan-1-one
CID 175779096
furan-2-carboxylic acid;methanol
CID 70611195
furan-2-carboxylic acid;hexane
CID 157215891
N-[(2R)-2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]furan-2-carboxamide
CID 95982933
furan-2-carboxylic acid;3-phenylpropan-1-ol
CID 174709444
N,N-dibenzylfuran-2-carboxamide
CID 762503
furan-2-carboxylic acid;methanamine
CID 82372767
diethyl 2-amino-2-(furan-2-carbonyl)propanedioate
CID 174833860
furan-2-carboxylic acid;gold
CID 174701575

Frequently Asked Questions

What is the IUPAC name of (2R)-2-benzyl-1-(furan-2-yl)-3,4,5-trihydroxy-2-methylperoxypentan-1-one?
The IUPAC name of (2R)-2-benzyl-1-(furan-2-yl)-3,4,5-trihydroxy-2-methylperoxypentan-1-one (CID 174566451) is (2R)-2-benzyl-1-(furan-2-yl)-3,4,5-trihydroxy-2-methylperoxypentan-1-one.
What is the SMILES notation for (2R)-2-benzyl-1-(furan-2-yl)-3,4,5-trihydroxy-2-methylperoxypentan-1-one?
The canonical SMILES for (2R)-2-benzyl-1-(furan-2-yl)-3,4,5-trihydroxy-2-methylperoxypentan-1-one is COO[C@@](Cc1ccccc1)(C(=O)c1ccco1)C(O)C(O)CO.
What is the InChIKey of (2R)-2-benzyl-1-(furan-2-yl)-3,4,5-trihydroxy-2-methylperoxypentan-1-one?
The InChIKey is XZWAPMZJCJFJCM-PUJMQQBBSA-N. The full InChI is InChI=1S/C17H20O7/c1-22-24-17(15(20)13(19)11-18,10-12-6-3-2-4-7-12)16(21)14-8-5-9-23-14/h2-9,13,15,18-20H,10-11H2,1H3/t13?,15?,17-/m1/s1.
What are the key properties of (2R)-2-benzyl-1-(furan-2-yl)-3,4,5-trihydroxy-2-methylperoxypentan-1-one?
(2R)-2-benzyl-1-(furan-2-yl)-3,4,5-trihydroxy-2-methylperoxypentan-1-one has a molecular weight of 336.34 g/mol, XLogP of 0.74, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-benzyl-1-(furan-2-yl)-3,4,5-trihydroxy-2-methylperoxypentan-1-one is sourced from PubChem (CID 174566451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).