ChemSpider 2D Image | (2aS,4aS,9S,11aR,11bR,13aR,13bR)-2a,11a-Dimethyl-2a,4,4a,10,11,11a,11b,12,13,13b-decahydro-9H-2,3,5-trioxacyclopenta[3,4]pentaleno[1,6a-a]phenanthren-9-yl 2,6-dideoxy-3-O-methyl-beta-D-arabino-hexopyr anoside | C28H38O7

(2aS,4aS,9S,11aR,11bR,13aR,13bR)-2a,11a-Dimethyl-2a,4,4a,10,11,11a,11b,12,13,13b-decahydro-9H-2,3,5-trioxacyclopenta[3,4]pentaleno[1,6a-a]phenanthren-9-yl 2,6-dideoxy-3-O-methyl-β-D-arabino-hexopyr anoside

  • Molecular FormulaC28H38O7
  • Average mass486.597 Da
  • Monoisotopic mass486.261749 Da
  • ChemSpider ID33823932

  • defined stereocentres - 11 of 11 defined stereocentres

More details:

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

(2aS,4aS,9S,11aR,11bR,13aR,13bR)-2a,11a-Dimethyl-2a,4,4a,10,11,11a,11b,12,13,13b-decahydro-9H-2,3,5-trioxacyclopenta[3,4]pentaleno[1,6a-a]phenanthren-9-yl 2,6-dideoxy-3-O-methyl-β-D-arabino-hexopyr anoside [ACD/IUPAC Name]
(2aS,4aS,9S,11aR,11bR,13aR,13bR)-2a,11a-Dimethyl-2a,4,4a,10,11,11a,11b,12,13,13b-decahydro-9H-2,3,5-trioxacyclopenta[3,4]pentaleno[1,6a-a]phenanthren-9-yl-2,6-didesoxy-3-O-methyl-β-D-arabino-hexopy ranosid [German] [ACD/IUPAC Name]
2,6-Didésoxy-3-O-méthyl-β-D-arabino-hexopyranoside de (2aS,4aS,9S,11aR,11bR,13aR,13bR)-2a,11a-diméthyl-2a,4,4a,10,11,11a,11b,12,13,13b-décahydro-9H-2,3,5-trioxacyclopenta[3,4]pentaléno[1,6a-a]phéna nthrén-9-yle [French] [ACD/IUPAC Name]
β-D-arabino-Hexopyranoside, (2aS,4aS,9S,11aR,11bR,13aR,13bR)-2a,4,4a,10,11,11a,11b,12,13,13b-decahydro-2a,11a-dimethyl-1H,9H-2,3,5-trioxacyclopenta[3,4]pentaleno[1,6a-a]phenanthren-9-yl 2,6-dideoxy -3-O-methyl- [ACD/Index Name]
1417887-91-2 [RN]
MFCD28100719
Stauntosaponin A

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

Density: 1.3±0.1 g/cm3
Boiling Point: 658.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.5 mmHg at 25°C
Enthalpy of Vaporization: 111.0±6.0 kJ/mol
Flash Point: 352.2±31.5 °C
Index of Refraction: 1.601
Molar Refractivity: 128.3±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.18
ACD/LogD (pH 5.5): 2.38
ACD/BCF (pH 5.5): 37.95
ACD/KOC (pH 5.5): 469.94
ACD/LogD (pH 7.4): 2.38
ACD/BCF (pH 7.4): 37.95
ACD/KOC (pH 7.4): 469.94
Polar Surface Area: 76 Å2
Polarizability: 50.9±0.5 10-24cm3
Surface Tension: 52.6±5.0 dyne/cm
Molar Volume: 374.5±5.0 cm3

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