Found 5 results

Search term: YDHBKYCFICHVSW (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (1alpha,2beta,13beta)-7-Methoxycrinan-1,2-diol | C17H21NO5

(1α,2β,13β)-7-Methoxycrinan-1,2-diol

  • Molecular FormulaC17H21NO5
  • Average mass319.352 Da
  • Monoisotopic mass319.141968 Da
  • ChemSpider ID127384128

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

(1α,2β,13β)-7-Methoxycrinan-1,2-diol [ACD/IUPAC Name]
(1α,2β,13β)-7-Méthoxycrinan-1,2-diol [French] [ACD/IUPAC Name]
1H,6H-5,11b-Ethano[1,3]dioxolo[4,5-j]phenanthridine-1,2-diol, 2,3,4,4a-tetrahydro-7-methoxy-, (1S,2S,4aS)- [ACD/Index Name]
(13R,16S,17R)-9-methoxy-5,7-dioxa-12-azapentacyclo[10.5.2.01,13.02,10.04,8]nonadeca-2,4(8),9-triene-16,17-diol
1-Epideacetylbowdensine

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

Density: 1.5±0.1 g/cm3
Boiling Point: 505.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.7±3.0 kJ/mol
Flash Point: 259.7±30.1 °C
Index of Refraction: 1.682
Molar Refractivity: 81.6±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 0.85
ACD/LogD (pH 5.5): -0.52
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.61
ACD/LogD (pH 7.4): 0.82
ACD/BCF (pH 7.4): 2.29
ACD/KOC (pH 7.4): 57.50
Polar Surface Area: 71 Å2
Polarizability: 32.4±0.5 10-24cm3
Surface Tension: 73.5±5.0 dyne/cm
Molar Volume: 215.4±5.0 cm3

Click to predict properties on the Chemicalize site


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