Found 25 results

Search term: MF = 'C_{36}H_{56}O_{5}'
ChemSpider 2D Image | (3beta)-3-[(5-Oxohexanoyl)oxy]urs-12-en-28-oic acid | C36H56O5

(3β)-3-[(5-Oxohexanoyl)oxy]urs-12-en-28-oic acid

  • Molecular FormulaC36H56O5
  • Average mass568.827 Da
  • Monoisotopic mass568.412781 Da
  • ChemSpider ID424042

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(3β)-3-[(5-Oxohexanoyl)oxy]urs-12-en-28-oic acid [ACD/IUPAC Name]
(3β)-3-[(5-Oxohexanoyl)oxy]urs-12-en-28-säure [German] [ACD/IUPAC Name]
Acide (3β)-3-[(5-oxohexanoyl)oxy]urs-12-én-28-oïque [French] [ACD/IUPAC Name]
Urs-12-en-28-oic acid, 3-[(1,5-dioxohexyl)oxy]-, (3β)- [ACD/Index Name]
(1S,2R,4aS,6aS,6bR,8aR,10S,12aR,12bR,14bS)-1,2,6a,6b,9,9,12a-Heptamethyl-10-(5-oxo-hexanoyloxy)-1,3,4,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-octadecahydro-2H-picene-4a-carboxylic acid
3-O-glutaryl-ursolic acid

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

AIDS104960 [DBID]
AIDS-104960 [DBID]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 643.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.1 mmHg at 25°C
Enthalpy of Vaporization: 103.6±6.0 kJ/mol
Flash Point: 191.4±25.0 °C
Index of Refraction: 1.541
Molar Refractivity: 161.7±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 10.06
ACD/LogD (pH 5.5): 8.59
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 441119.78
ACD/LogD (pH 7.4): 6.79
ACD/BCF (pH 7.4): 19251.28
ACD/KOC (pH 7.4): 6959.88
Polar Surface Area: 81 Å2
Polarizability: 64.1±0.5 10-24cm3
Surface Tension: 44.8±5.0 dyne/cm
Molar Volume: 514.4±5.0 cm3

Click to predict properties on the Chemicalize site


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