ChemSpider 2D Image | MFCD09971000 | C30H48O6

MFCD09971000

  • Molecular FormulaC30H48O6
  • Average mass504.698 Da
  • Monoisotopic mass504.345093 Da
  • ChemSpider ID429307

  • defined stereocentres - 12 of 12 defined stereocentres

More details:

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

(2α,3β)-2,3,19,23-Tetrahydroxyurs-12-en-28-oic acid [ACD/IUPAC Name]
(2α,3β)-2,3,19,23-Tetrahydroxyurs-12-en-28-säure [German] [ACD/IUPAC Name]
19α-hydroxyasiatic acid
23-hydroxytormentic acid
70868-78-9 [RN]
Acide (2α,3β)-2,3,19,23-tétrahydroxyurs-12-én-28-oïque [French] [ACD/IUPAC Name]
MFCD09971000
Urs-12-en-28-oic acid, 2,3,19,23-tetrahydroxy-, (2α,3β)- [ACD/Index Name]
(1R,2R,4aS,6aR,6aS,6bR,8aR,9R,10R,11R,12aR,14bS)-1,10,11-trihydroxy-9-(hydroxymethyl)-1,2,6a,6b,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
(2a,3b,4a)-2,3,19,23-Tetrahydroxyurs-12-en-28-oic acid
More...

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

AIDS113958 [DBID]
AIDS-113958 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 639.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.3 mmHg at 25°C
Enthalpy of Vaporization: 108.2±6.0 kJ/mol
Flash Point: 354.5±28.0 °C
Index of Refraction: 1.593
Molar Refractivity: 138.1±0.4 cm3
#H bond acceptors: 6
#H bond donors: 5
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 2
ACD/LogP: 4.85
ACD/LogD (pH 5.5): 3.95
ACD/BCF (pH 5.5): 324.60
ACD/KOC (pH 5.5): 1071.55
ACD/LogD (pH 7.4): 2.15
ACD/BCF (pH 7.4): 5.14
ACD/KOC (pH 7.4): 16.97
Polar Surface Area: 118 Å2
Polarizability: 54.8±0.5 10-24cm3
Surface Tension: 57.7±5.0 dyne/cm
Molar Volume: 407.8±5.0 cm3

Click to predict properties on the Chemicalize site


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