(3S,5Z,7E)-(26,26,26,27,27,27-²H₆)-9,10-Secocholesta-5,7,10-triene-3,25-diol hydrate (1:1)

Molecular FormulaC₂₇H₄₀D₆O₃
Average mass424.689 Da
Monoisotopic mass424.382355 Da
ChemSpider ID115010948

- Double-bond stereo
- 5 of 5 defined stereocentres
- Non-standard isotope

More details:

Names and Synonyms

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(3S,5Z,7E)-(26,26,26,27,27,27-²H₆)-9,10-Secocholesta-5,7,10-trien-3,25-diolhydrat (1:1) [German] [ACD/IUPAC Name]

(3S,5Z,7E)-(26,26,26,27,27,27-²H₆)-9,10-Secocholesta-5,7,10-triene-3,25-diol hydrate (1:1) [ACD/IUPAC Name]

(3S,5Z,7E)-(26,26,26,27,27,27-²H₆)-9,10-Sécocholesta-5,7,10-triène-3,25-diol, hydrate (1:1) [French] [ACD/IUPAC Name]

1H-Indene-1-pentanol, octahydro-4-[(2Z)-2-[(5S)-5-hydroxy-2-methylenecyclohexylidene]ethylidene]-ε,7a-dimethyl-α,α-di(methyl-d₃)-, (εR,1R,3aS,4E,7aR)-, hydrate (1:1) [ACD/Index Name]

Predicted - ACD/Labs
Predicted - ChemAxon

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

No predicted properties have been calculated for this compound.

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors:
#H bond donors:
#Freely Rotating Bonds:
#Rule of 5 Violations:

ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area:
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site

Patents	Personal Collections
Publication or Magazine Article	Web-based Article (blog or commentary)
Available Chemicals Databases	Biological Properties
Chemical Reactions	Chemical Safety Data
Drugs or Compounds in Development	Imaging Agents
Information Aggregators	Journal Publishers via MeSH
Ligand/binding/crystal Structure Databases	Metabolic Pathways
Molecular Libraries Screening Center Network	Natural Products
NIH Substance Repository	Physical Properties (including SAR/QSAR databases)
Protein 3D Structures	Spectroscopy Databases
Substance Vendors	Theoretical Properties
Toxicology/Environmental Databases	Virtual Library

(3S,5Z,7E)-(26,26,26,27,27,27-²H₆)-9,10-Secocholesta-5,7,10-triene-3,25-diol hydrate (1:1)

More details:

Search ChemSpider:

Search Google:

(3S,5Z,7E)-(26,26,26,27,27,27-2H6)-9,10-Secocholesta-5,7,10-triene-3,25-diol hydrate (1:1)

More details:

Search ChemSpider:

Search Google:

(3S,5Z,7E)-(26,26,26,27,27,27-²H₆)-9,10-Secocholesta-5,7,10-triene-3,25-diol hydrate (1:1)