(6R,7R,15R)-15-[(R)-hydroxy(phenyl)methyl]-5,12,13,16-tetraoxadispiro[5.0.57.46]hexadecan-14-one

C19H24O6 — CID 10712713

IUPAC(6R,7R,15R)-15-[(R)-hydroxy(phenyl)methyl]-5,12,13,16-tetraoxadispiro[5.0.57.46]hexadecan-14-one
SMILESO=C1O[C@]2(CCCCO2)[C@@]2(CCCCO2)O[C@@H]1[C@H](O)c1ccccc1
InChIInChI=1S/C19H24O6/c20-15(14-8-2-1-3-9-14)16-17(21)25-19(11-5-7-13-23-19)18(24-16)10-4-6-12-22-18/h1-3,8-9,15-16,20H,4-7,10-13H2/t15-,16-,18-,19-/m1/s1
InChIKeyZDWHDHJNMBKPMB-PSBWJHGTSA-N
MW348.39 g/mol
LogP2.46
Rot. Bonds2

About (6R,7R,15R)-15-[(R)-hydroxy(phenyl)methyl]-5,12,13,16-tetraoxadispiro[5.0.57.46]hexadecan-14-one

(6R,7R,15R)-15-[(R)-hydroxy(phenyl)methyl]-5,12,13,16-tetraoxadispiro[5.0.57.46]hexadecan-14-one (PubChem CID 10712713) has the molecular formula C19H24O6 and a molecular weight of 348.39 g/mol. Its IUPAC name is (6R,7R,15R)-15-[(R)-hydroxy(phenyl)methyl]-5,12,13,16-tetraoxadispiro[5.0.57.46]hexadecan-14-one.

Molecular Properties

Compound Name(6R,7R,15R)-15-[(R)-hydroxy(phenyl)methyl]-5,12,13,16-tetraoxadispiro[5.0.57.46]hexadecan-14-one
PubChem CID10712713
Molecular FormulaC19H24O6
Molecular Weight348.39 g/mol
Exact Mass348.16
IUPAC Name(6R,7R,15R)-15-[(R)-hydroxy(phenyl)methyl]-5,12,13,16-tetraoxadispiro[5.0.57.46]hexadecan-14-one
SMILESO=C1O[C@]2(CCCCO2)[C@@]2(CCCCO2)O[C@@H]1[C@H](O)c1ccccc1
InChIInChI=1S/C19H24O6/c20-15(14-8-2-1-3-9-14)16-17(21)25-19(11-5-7-13-23-19)18(24-16)10-4-6-12-22-18/h1-3,8-9,15-16,20H,4-7,10-13H2/t15-,16-,18-,19-/m1/s1
InChIKeyZDWHDHJNMBKPMB-PSBWJHGTSA-N
XLogP2.46
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.39
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (6R,7R,15R)-15-[(R)-hydroxy(phenyl)methyl]-5,12,13,16-tetraoxadispiro[5.0.57.46]hexadecan-14-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(6R,7R,14S)-14-[hydroxy(phenyl)methyl]-14-methyl-5,12,13,16-tetraoxadispiro[5.0.57.46]hexadecan-15-one
CID 67798629
(4R,6S,7R,11R,15S)-15-[(S)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-hydroxymethyl]-4,11-bis(phenylsulfanylmethyl)-5,12,13,16-tetraoxadispiro[5.0.57.46]hexadecan-14-one
CID 10555811
(14S)-14-[(1S)-1-hydroxyethyl]-14-methyl-5,12,13,16-tetraoxadispiro[5.0.57.46]hexadecan-15-one
CID 101052108
(5S,7Z)-5-[(R)-hydroxy(phenyl)methyl]-8-methyl-2,3-dihydro-1,4-dioxocin-6-one
CID 11195983
(R)-cycloheptyl(phenyl)methanol
CID 94502427
[2-(3,3,3-trifluoro-2-phenylpropyl)oxan-2-yl]silane
CID 123199936
[(1S,2R,4S,5S)-5-phenylspiro[3,6,8-trioxabicyclo[3.2.1]octane-4,2'-oxane]-2-yl]methanol
CID 102348374
3,4-dihydro-1H-isochromen-1-yl(phenyl)methanol
CID 15526486
(2R)-2-[(S)-hydroxy(phenyl)methyl]cycloheptan-1-one
CID 12754674
(2S)-2-hydroxy-N-[(4R)-1-oxaspiro[5.5]undecan-4-yl]-2-phenylacetamide
CID 97235901
3-[3-(2,4-dioxo-1,5-dioxaspiro[5.5]undecan-3-ylidene)-2-phenylpropylidene]-1,5-dioxaspiro[5.5]undecane-2,4-dione
CID 90978245
2-benzyloxane-2-carboxylic acid
CID 12030266

Frequently Asked Questions

What is the IUPAC name of (6R,7R,15R)-15-[(R)-hydroxy(phenyl)methyl]-5,12,13,16-tetraoxadispiro[5.0.57.46]hexadecan-14-one?
The IUPAC name of (6R,7R,15R)-15-[(R)-hydroxy(phenyl)methyl]-5,12,13,16-tetraoxadispiro[5.0.57.46]hexadecan-14-one (CID 10712713) is (6R,7R,15R)-15-[(R)-hydroxy(phenyl)methyl]-5,12,13,16-tetraoxadispiro[5.0.57.46]hexadecan-14-one.
What is the SMILES notation for (6R,7R,15R)-15-[(R)-hydroxy(phenyl)methyl]-5,12,13,16-tetraoxadispiro[5.0.57.46]hexadecan-14-one?
The canonical SMILES for (6R,7R,15R)-15-[(R)-hydroxy(phenyl)methyl]-5,12,13,16-tetraoxadispiro[5.0.57.46]hexadecan-14-one is O=C1O[C@]2(CCCCO2)[C@@]2(CCCCO2)O[C@@H]1[C@H](O)c1ccccc1.
What is the InChIKey of (6R,7R,15R)-15-[(R)-hydroxy(phenyl)methyl]-5,12,13,16-tetraoxadispiro[5.0.57.46]hexadecan-14-one?
The InChIKey is ZDWHDHJNMBKPMB-PSBWJHGTSA-N. The full InChI is InChI=1S/C19H24O6/c20-15(14-8-2-1-3-9-14)16-17(21)25-19(11-5-7-13-23-19)18(24-16)10-4-6-12-22-18/h1-3,8-9,15-16,20H,4-7,10-13H2/t15-,16-,18-,19-/m1/s1.
What are the key properties of (6R,7R,15R)-15-[(R)-hydroxy(phenyl)methyl]-5,12,13,16-tetraoxadispiro[5.0.57.46]hexadecan-14-one?
(6R,7R,15R)-15-[(R)-hydroxy(phenyl)methyl]-5,12,13,16-tetraoxadispiro[5.0.57.46]hexadecan-14-one has a molecular weight of 348.39 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6R,7R,15R)-15-[(R)-hydroxy(phenyl)methyl]-5,12,13,16-tetraoxadispiro[5.0.57.46]hexadecan-14-one is sourced from PubChem (CID 10712713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).