ChemSpider 2D Image | (3beta)-3-(beta-D-Arabinopyranosyloxy)olean-12-en-28-oic acid | C35H56O7

(3β)-3-(β-D-Arabinopyranosyloxy)olean-12-en-28-oic acid

  • Molecular FormulaC35H56O7
  • Average mass588.815 Da
  • Monoisotopic mass588.402588 Da
  • ChemSpider ID110788

  • defined stereocentres - 12 of 12 defined stereocentres

More details:

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

(3β)-3-(β-D-Arabinopyranosyloxy)olean-12-en-28-oic acid [ACD/IUPAC Name]
(3β)-3-(β-D-Arabinopyranosyloxy)olean-12-en-28-säure [German] [ACD/IUPAC Name]
Acide (3β)-3-(β-D-arabinopyranosyloxy)oléan-12-én-28-oïque [French] [ACD/IUPAC Name]
Olean-12-en-28-oic acid, 3-(β-D-arabinopyranosyloxy)-, (3β)- [ACD/Index Name]
(4AS,6AS,6BR,8AR,10S,12AR,12BR,14BS)-2,2,6A,6B,9,9,12A-HEPTAMETHYL-10-{[(2S,3S,4R,5R)-3,4,5-TRIHYDROXYOXAN-2-YL]OXY}-1,2,3,4,4A,5,6,6A,6B,7,8,8A,9,10,11,12,12A,12B,13,14B-ICOSAHYDROPICENE-4A-CARBOXYLIC ACID
(4AS,6AS,6BR,8AR,10S,12AR,12BR,14BS)-2,2,6A,6B,9,9,12A-HEPTAMETHYL-10-{[(2S,3S,4R,5R)-3,4,5-TRIHYDROXYOXAN-2-YL]OXY}-1,3,4,5,6,7,8,8A,10,11,12,12B,13,14B-TETRADECAHYDROPICENE-4A-CARBOXYLIC ACID
3-O-Arabinopyranosyloleanolic acid
3-O-α-L-Arabinopyranosyl-oleanolic acid
58163-30-7 [RN]
FJ-1 Acid

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

Density: 1.2±0.1 g/cm3
Boiling Point: 685.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.8 mmHg at 25°C
Enthalpy of Vaporization: 115.0±6.0 kJ/mol
Flash Point: 208.1±25.0 °C
Index of Refraction: 1.579
Molar Refractivity: 161.2±0.4 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 2
ACD/LogP: 9.34
ACD/LogD (pH 5.5): 7.14
ACD/BCF (pH 5.5): 93776.92
ACD/KOC (pH 5.5): 69117.98
ACD/LogD (pH 7.4): 5.33
ACD/BCF (pH 7.4): 1476.26
ACD/KOC (pH 7.4): 1088.07
Polar Surface Area: 116 Å2
Polarizability: 63.9±0.5 10-24cm3
Surface Tension: 53.9±5.0 dyne/cm
Molar Volume: 485.2±5.0 cm3

Click to predict properties on the Chemicalize site


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